SCHEMBL168935

SCHEMBL168935

O=C1NC=CNc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.52
FER P16591 1/20 0.52
LTK P29376 1/20 0.52
CDK8 P49336 1/20 0.52
ACVR1 Q04771 1/20 0.52
LRRK2 Q5S007 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GSK3B P49841 1/20 0.44
TNKS2 Q9H2K2 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29848588 0.73 MAPT (0.38) PDGFRAFERLTKCDK8ACVR1
SCHEMBL1996673 0.73 MAPT (0.38) PDGFRAFERLTKCDK8ACVR1
SCHEMBL366728 0.72
SCHEMBL2420711 0.72 LRRK2 (0.90) PDGFRAFERLTKCDK8ACVR1
SCHEMBL6630463 0.71 ALDH1A1 (0.38) PDGFRAFERLTKCDK8ACVR1
Hydrochloric Acid SCHEMBL6633846 0.70 ALDH1A1 (0.37) PDGFRAFERLTKCDK8ACVR1
SCHEMBL9253865 0.70 KDM4E (0.46) PDGFRAFERLTKCDK8ACVR1
SCHEMBL2061722 0.70 LRRK2 (0.45) PDGFRAFERLTKCDK8ACVR1
SCHEMBL1096641 0.70 MAOA (0.36) PDGFRAFERLTKCDK8ACVR1
SCHEMBL3590696 0.70 CDC25B (0.44) PDGFRAFERLTKCDK8ACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735442-A1 IMIDAZO[1,2-alpha]PYRIDINE COMPOUNDS FOR USE IN TREATING CANCER AND INFLAMMATORY DISEASES AND METHODS TO PREPARE SAID COMPOUNDS Theranib Inc. (CA) 2026-05-06 EP disclosed
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A THERANIB INC. (CA) 2025-01-09 US disclosed
US-20230265079-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF UNIVERSITY HEALTH NETWORK (CA) 2023-08-24 US disclosed
US-11572354-B2 Inhibitor of indoleamine 2,3-dioxygenase-1 and methods of manufacture and use thereof UNIVERSITY HEALTH NETWORK (CA) 2023-02-07 US disclosed
US-20210053942-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF UNIVERSITY HEALTH NETWORK (CA) 2021-02-25 US disclosed
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9186353-B2 Treatment of osteoarthritis pain ABBVIE INC. (US) 2015-11-17 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 US disclosed
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 US disclosed
WO-2009079225-A1 CYCLOPROPYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-06-25 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
EP-2001885-A2 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 US disclosed
EP-1926729-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US disclosed
WO-2007100990-A2 OCTAHYDRO-PYRROLO[3,4-B] PYRROLE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-07 WO disclosed
WO-2007038074-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11572354-B2 Inhibitor of indoleamine 2,3-dioxygenase-1 and methods of manufacture and use thereof IDO1, IDO2, KYNU PDGFRA 4382/4885FER 3144/4885LTK 1894/4885
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT PDGFRA 418/4885FER 3526/4885LTK 1474/4885
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 PDGFRA 272/4885FER 3848/4885LTK 892/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 PDGFRA 285/4885FER 1265/4885LTK 376/4885
US-20250011322-A1 MEDICAL COMPOUND FOR THE INHIBITION OF ALDEHYDE DEHYDROGENASE SUBTYPE 1A ALDH2, ALDH3A1, ALDH1A1 PDGFRA 839/4885FER 3954/4885LTK 3520/4885
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A PDGFRA 351/4885FER 3723/4885LTK 3861/4885
US-20230265079-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF IDO1, IDO2, INMT PDGFRA 4294/4885FER 3150/4885LTK 1500/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 PDGFRA 210/4885FER 2046/4885LTK 672/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 PDGFRA 569/4885FER 1560/4885LTK 169/4885
US-20210053942-A1 INHIBITOR OF INDOLEAMINE 2,3-DIOXYGENASE-1 AND METHODS OF MANUFACTURE AND USE THEREOF IDO1, IDO2, KYNU PDGFRA 4382/4885FER 3144/4885LTK 1894/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 PDGFRA 299/4885FER 2037/4885LTK 217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.