SCHEMBL14938415

SCHEMBL14938415

CCCc1ccccc1-c1ccccc1.NCCc1ccccc1[Pd]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
ADRA2C P18825 1/20 0.44
PPARA Q07869 1/20 0.40
TAAR1 Q96RJ0 7/20 0.40
HTR2A P28223 1/20 0.38
MAOB P27338 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BACE1 P56817 1/20 0.36

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
Biphenyl SCHEMBL30337 0.82 TAAR1 (0.52) DPP4ADRA2CTAAR1HTR2A
SCHEMBL607543 0.82 DPP4 (0.56) DPP4PPARACA12CA1CA2
SCHEMBL1868872 0.82 DPP4 (0.68) DPP4ADRA2CTAAR1HTR2AMAOB
Biphenyl SCHEMBL19410947 0.80 TAAR1 (0.50) DPP4ADRA2CTAAR1HTR2A
Hydrochloric Acid SCHEMBL30641921 0.80 DPP4 (0.54) DPP4PPARACA12CA1CA2
SCHEMBL10798302 0.78 DPP4 (0.52) DPP4PPARACA12CA1CA2
SCHEMBL29687091 0.78 TAAR1 (0.56) ADRA2CTAAR1HTR2A
SCHEMBL2773498 0.78 TAAR1 (0.56) ADRA2CTAAR1HTR2A
Cyanide SCHEMBL28342474 0.77 DPP4 (0.50) DPP4ADRA2CPPARACA12CA1
SCHEMBL27806648 0.77 PPARA (0.50) DPP4PPARACA12CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-20160297811-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 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 (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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 DPP4 580/4885ADRA2C 22/4885PPARA 2731/4885
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 DPP4 3430/4885ADRA2C 1607/4885PPARA 1140/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 DPP4 3430/4885ADRA2C 1607/4885PPARA 1140/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK DPP4 3464/4885ADRA2C 1388/4885PPARA 4069/4885
US-20160297811-A1 SUBSTITUTED TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 DPP4 496/4885ADRA2C 11/4885PPARA 2413/4885

“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.