SCHEMBL2295342

SCHEMBL2295342

N#CNc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MAPT P10636 6/20 0.53
MEN1 O00255 5/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
CISD1 Q9NZ45 1/20 0.53
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
IDO1 P14902 1/20 0.43
USP2 O75604 1/20 0.42
HTR3E A5X5Y0 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
SCHEMBL8985182 0.84 ALDH1A1 (0.42) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL28389437 0.79 KMT2A (0.50) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL1270467 0.78 MAPT (0.48) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL57436 0.78 MEN1 (0.53) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL8829718 0.77 TSHR (0.42) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL12123166 0.74 MAPT (0.52) KMT2AMAPTMEN1HSD17B10SMN1; SMN2
SCHEMBL14128157 0.74 CYP3A4 (0.52) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL9492682 0.74 MAPT (0.53) KMT2AMAPTMEN1HSD17B10ALOX15
SCHEMBL6586488 0.74 SIGMAR1 (0.40) IDO1
SCHEMBL8795345 0.74 MAPT (0.61) KMT2AMAPTMEN1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-11-21 US disclosed
US-8481578-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
EP-2019826-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-08-29 EP disclosed
US-20120165378-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8039661-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-20110190507-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 US disclosed
US-7851495-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-14 US disclosed
CN-101495474-A Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMA (US) 2009-07-29 CN disclosed
EP-2019826-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals, Inc. (US) 2009-02-04 EP disclosed
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-03-20 US disclosed
WO-2007139795-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-06 WO disclosed
US-5266701-A Process for production of 2-iminothiazolidines and oxazolidines ICI AMERICAS INC. (US) 1993-11-30 US disclosed
US-4225591-A CORONARY VASODILATOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-30 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 (4 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-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 KMT2A 886/4885MAPT 1217/4885MEN1 2882/4885
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, MAP3K5, PACSIN2 KMT2A 886/4885MAPT 1217/4885MEN1 2882/4885
US-20110190507-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 KMT2A 886/4885MAPT 1217/4885MEN1 2882/4885
US-20120165378-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 KMT2A 886/4885MAPT 1217/4885MEN1 2882/4885

“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.