SCHEMBL3117337

SCHEMBL3117337

Cc1cccc(OCCCc2ccc(Nc3nc(-c4cccnc4)cs3)cc2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.54
MEN1 O00255 11/20 0.54
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
KIT P10721 3/20 0.53
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 4/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3116531 0.93 KMT2A (0.58) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3126531 0.90 KMT2A (0.57) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3132703 0.89 MEN1 (0.55) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3119321 0.88 MEN1 (0.58) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3128623 0.86 ALDH1A1 (0.39) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3117347 0.84 MEN1 (0.55) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL206134 0.84 MEN1 (0.56) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL3128737 0.84 MEN1 (0.56) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL206625 0.82 MEN1 (0.52) KMT2AMEN1RAB9ANPC1KIT
SCHEMBL207920 0.81 RAB9A (0.53) KMT2AMEN1RAB9ANPC1KIT

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-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US claimed
EP-2164846-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS. Achillion Pharmaceuticals, Inc. (US) 2010-03-24 EP claimed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US claimed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO claimed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 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 (1 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 KMT2A 3706/4885MEN1 2144/4885RAB9A 2863/4885

“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.