SCHEMBL2222772

SCHEMBL2222772

CC(C)c1nc(-c2ccc(N)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
SREBF2 Q12772 1/20 0.46
RAB9A P51151 8/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX5 P09917 2/20 0.44
LMNA P02545 2/20 0.44
LTA4H P09960 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL22824711 0.87 MAPT (0.45) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL2609421 0.84 RAB9A (0.53) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL2513271 0.82 RAB9A (0.58) ATP4AATP4BSREBF2RAB9AALDH1A1
SCHEMBL12297331 0.82 RAB9A (0.56) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL10052165 0.82 KMT2A (0.58) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL2609415 0.82 RAB9A (0.56) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL2754043 0.81 ALDH1A1 (0.55) ATP4AATP4BSREBF2RAB9AALDH1A1
SCHEMBL14558317 0.81 RAB9A (0.50) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL5647658 0.81 KMT2A (0.49) ATP4AATP4BSREBF2RAB9AALDH1A1
SCHEMBL27633290 0.80 RAB9A (0.44) ATP4AATP4BSREBF2RAB9AALDH1A1

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-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 EP disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 ATP4A 1369/4885ATP4B 1038/4885SREBF2 549/4885
US-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 ATP4A 4309/4885ATP4B 4063/4885SREBF2 1221/4885

“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.