SCHEMBL3300314

SCHEMBL3300314

Cc1cc(CCl)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TXN P10599 1/20 0.46
KCNH3 Q9ULD8 11/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
NR4A1 P22736 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3302271 0.85 RAB9A (0.49) RAB9ANPC1TXNKCNH3SMN1; SMN2
SCHEMBL9763194 0.84 TAAR1 (0.56) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL6964614 0.83 TXN (0.54) RAB9ANPC1TXNKCNH3POLB
SCHEMBL6957616 0.76 RAB9A (0.51) RAB9ANPC1TXNKCNH3SMN1; SMN2
SCHEMBL12484530 0.76 TXN (0.50) RAB9ANPC1TXNKCNH3MEN1
SCHEMBL12485120 0.74 TAAR1 (0.72) RAB9ANPC1TXNKCNH3SMN1; SMN2
SCHEMBL12483182 0.74 KCNH3 (0.48) RAB9ANPC1TXNKCNH3POLB
SCHEMBL12484610 0.74 TAAR1 (0.51) RAB9ANPC1KCNH3MEN1KMT2A
SCHEMBL9763442 0.72 KCNH3 (0.44) RAB9ANPC1TXNKCNH3POLB
SCHEMBL9499365 0.72 IGF1R (0.45) RAB9ANPC1TXNKCNH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 US disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO 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 (2 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-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 RAB9A 2792/4885NPC1 1639/4885TXN 4132/4885
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 RAB9A 2792/4885NPC1 1639/4885TXN 4132/4885

“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.