SCHEMBL737825

SCHEMBL737825

NC(=O)c1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
JAK1 P23458 4/20 0.56
HDAC1 Q13547 3/20 0.56
SYK P43405 5/20 0.55
EGFR P00533 4/20 0.54
AXL P30530 1/20 0.54
MERTK Q12866 1/20 0.54
JAK3 P52333 3/20 0.53
JAK2 O60674 2/20 0.53
RET P07949 1/20 0.53
TYK2 P29597 1/20 0.53
FLT3 P36888 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GCGR P47871 1/20 0.51
BACE1 P56817 1/20 0.49
MAP3K7 O43318 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
STAT6 P42226 1/20 0.49
BRD2 P25440 1/20 0.48

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
SCHEMBL736547 0.89 SYK (0.57) BRD4JAK1HDAC1SYKEGFR
SCHEMBL736341 0.88 SYK (0.60) BRD4JAK1HDAC1SYKEGFR
SCHEMBL736490 0.88 SYK (0.56) BRD4JAK1HDAC1SYKEGFR
SCHEMBL737707 0.88 SYK (0.65) BRD4JAK1HDAC1SYKAXL
SCHEMBL737989 0.88 JAK1 (0.53) BRD4JAK1HDAC1SYKEGFR
SCHEMBL737887 0.87 JAK1 (0.54) BRD4JAK1HDAC1SYKEGFR
SCHEMBL736207 0.86 SYK (0.66) BRD4JAK1HDAC1SYKEGFR
SCHEMBL738083 0.86 BRD4 (0.53) BRD4JAK1HDAC1SYKEGFR
SCHEMBL269996 0.85 BRD4 (0.65) BRD4JAK1HDAC1SYKEGFR
SCHEMBL736753 0.85 SYK (0.58) BRD4JAK1HDAC1SYKEGFR

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414410-B2 Inhibitors of protein kinases ALEXION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
EP-2321283-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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 (6 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 BRD4 3725/4885JAK1 3/4885HDAC1 3946/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 BRD4 3725/4885JAK1 3/4885HDAC1 3946/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 BRD4 3725/4885JAK1 3/4885HDAC1 3946/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 BRD4 3725/4885JAK1 3/4885HDAC1 3946/4885
US-11414410-B2 Inhibitors of protein kinases MAP3K1, MAP3K20, MAP3K2 BRD4 895/4885JAK1 87/4885HDAC1 479/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 BRD4 3725/4885JAK1 3/4885HDAC1 3946/4885

“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.