SCHEMBL2605729

SCHEMBL2605729

CCNC(=S)NC(=O)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PPIA P62937 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 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
SCHEMBL171506 0.85 PPIA (0.50) NPSR1RAB9AKDM4EPPIAALDH1A1
SCHEMBL14045184 0.84 HPGD (0.49) RAB9AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL14045079 0.84 CA1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL13667641 0.83 RIPK1 (0.52) RIPK1NPSR1RAB9AKDM4EPPIA
SCHEMBL13607973 0.81 ANO1 (0.51) RIPK1NPSR1RAB9AKDM4EPPIA
SCHEMBL13926143 0.81 ALDH1A1 (0.56) NPSR1RAB9APPIAALDH1A1SMN1; SMN2
SCHEMBL14045189 0.81 CA1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL2605728 0.80 MEN1 (0.57) NPSR1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14045187 0.79 HTT (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10172594 0.78 ALDH1A1 (0.58) RAB9AALDH1A1SMN1; SMN2HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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 (5 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 RIPK1 217/4885NPSR1 4396/4885RAB9A 1119/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 RIPK1 217/4885NPSR1 4396/4885RAB9A 1119/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET RIPK1 614/4885NPSR1 1765/4885RAB9A 2424/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 RIPK1 528/4885NPSR1 3678/4885RAB9A 2326/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET RIPK1 614/4885NPSR1 1765/4885RAB9A 2424/4885

“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.