SCHEMBL977966

SCHEMBL977966

c1ccn(-c2cnccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 2/20 0.34
SORD Q00796 1/20 0.34
POLB P06746 1/20 0.33
SLC6A7 Q99884 1/20 0.33
MAT2A P31153 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAOB P27338 1/20 0.32
DRD4 P21917 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL29534409 1.00 HSP90AA1 (0.37) HSP90AA1LMNAL3MBTL1P4HTMKDM4E
Pyridine SCHEMBL27348524 0.92 NAPRT (0.36) HSP90AA1LMNAL3MBTL1P4HTMKDM4E
SCHEMBL12470705 0.77 LOXL2 (0.47) LMNAALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL29606764 0.71 KDM4E (0.64) LMNAKDM4EALDH1A1
SCHEMBL904382 0.71 KDM4E (0.64) LMNAKDM4EALDH1A1
SCHEMBL27990226 0.70 CA12 (0.48) LMNAL3MBTL1P4HTMKDM4EALDH1A1
SCHEMBL5000576 0.70 HSP90AA1 (0.40) HSP90AA1LMNAL3MBTL1P4HTMKDM4E
SCHEMBL1916511 0.69 KDM4E (0.33) HSP90AA1LMNAL3MBTL1P4HTMKDM4E
SCHEMBL22199088 0.69 CYP2E1 (0.54) LMNAL3MBTL1KDM4ECYP17A1CYP1A2
SCHEMBL1437298 0.68 PLD1 (0.50) LMNAP4HTMKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN claimed
WO-2023151697-A1 METTL3 INHIBITOR AND COMPOSITION, AND APPLICATION OF SAME IN MEDICINE 四川海思科制药有限公司 2023-08-17 WO claimed
CN-114478523-B Organic luminescent material and preparation method and application thereof 西安凯翔光电科技有限公司 2023-04-18 CN claimed
US-RE49361-E1 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-01-10 US claimed
CN-114478523-A Organic luminescent material and preparation method and application thereof 西安凯翔光电科技有限公司 2022-05-13 CN claimed
US-10183939-B2 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers REDX PHARMA PLC (GB) 2019-01-22 US claimed
EP-3191477-B1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS REDX PHARMA PLC (GB) 2018-07-18 EP claimed
US-20170298061-A1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS U.S. BANK NATIONAL ASSOCIATION 2017-10-19 US claimed
EP-3191477-A1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS Redx Pharma Plc (GB) 2017-07-19 EP claimed
WO-2016038389-A1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS REDX PHARMA PLC (GB) 2016-03-17 WO claimed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US claimed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US claimed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO claimed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO claimed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO claimed
US-7090929-B2 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2006-04-06 US claimed
EP-1554361-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2005-07-20 EP claimed
US-20040072018-A1 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions LG CHEM, LTD. (KR) 2004-04-15 US claimed
WO-2004015025-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20170298061-A1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS BRAF, ARAF, RAF1 HSP90AA1 1895/4885LMNA 2490/4885L3MBTL1 786/4885
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 HSP90AA1 1950/4885LMNA 3658/4885L3MBTL1 2338/4885
US-20070093467-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 HSP90AA1 1201/4885LMNA 3293/4885L3MBTL1 1934/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 HSP90AA1 1201/4885LMNA 3293/4885L3MBTL1 1934/4885
US-10183939-B2 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers BRAF, ARAF, RAF1 HSP90AA1 1895/4885LMNA 2490/4885L3MBTL1 786/4885

“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.