SCHEMBL13738580

SCHEMBL13738580

Fc1ccccc1Cc1ncc2cccnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL7907145 0.78 PDE10A (0.37) PDE10A
SCHEMBL13736655 0.77 ADCY10 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL16695052 0.76 MEN1 (0.45) PDE10AALDH1A1KDM4EGUCY1A1GUCY1B1
SCHEMBL14048225 0.74 PDE10A (0.46) PDE10AALDH1A1MAPTNPC1RAB9A
SCHEMBL13739532 0.71 GUCY1A1 (0.48) ALDH1A1KDM4EGUCY1A1GUCY1B1KCNH2
SCHEMBL19480652 0.70 GUCY1A1 (0.46) ALDH1A1KDM4EGUCY1A1GUCY1B1KCNH2
SCHEMBL13738365 0.69 GUCY1A1 (0.46) ALDH1A1KDM4EGUCY1A1GUCY1B1KCNH2
SCHEMBL7896683 0.68 MAPT (0.42) KDM4EKCNH2MAPTHTT
SCHEMBL7904953 0.68 HAO1 (0.38) PDE10ANPC1
SCHEMBL20140256 0.68 PDE10A (0.42) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2822951-B1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER IP GMBH (DE) 2017-07-26 EP disclosed
EP-2822951-B1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER IP GMBH (DE) 2017-07-26 EP disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-9150580-B2 Substituted imidazopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-06 US disclosed
US-9150580-B2 Substituted imidazopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-06 US disclosed
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2705037-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
EP-2705038-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 US disclosed
WO-2013131923-A1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
WO-2012152629-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
WO-2012152630-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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 (3 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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 PDE10A 2782/4885ALDH1A1 1760/4885KDM4E 3894/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 PDE10A 2782/4885ALDH1A1 1760/4885KDM4E 3894/4885
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF TPMT, TNNI3, PPIP5K2 PDE10A 2758/4885ALDH1A1 818/4885KDM4E 3306/4885

“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.