SCHEMBL714837

SCHEMBL714837

Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cc1nc(-c2cccnc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
PSMD14 O00487 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTPN7 P35236 1/20 0.52
PPARG P37231 1/20 0.52
DUSP3 P51452 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
CASP3 P42574 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL716307 0.86 KDM4E (0.52) NPC1RAB9AALDH1A1KMT2ACASP3
SCHEMBL10082535 0.84 ABL1 (0.66) NPC1RAB9APSMD14RXFP1KMT2A
SCHEMBL718546 0.83 ABL1 (0.49) RXFP1MAPTALDH1A1KDM4EABL1
SCHEMBL4902752 0.83 ALDH1A1 (0.54) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL5503213 0.82 ABL1 (0.51) MAPTALDH1A1KDM4EABL1PDGFRB
SCHEMBL718122 0.82 ABL1 (0.58) NPC1RAB9AABL1PDGFRBBCR
SCHEMBL717582 0.81 ABL1 (0.48) NPC1RAB9ARXFP1MAPTALDH1A1
SCHEMBL14789747 0.80 ABL1 (0.74) ABL1PDGFRBBCREGFRERBB2
SCHEMBL5162199 0.80 ABL1 (0.64) ABL1PDGFRBBCREGFRERBB2
SCHEMBL716920 0.80 ABL1 (0.67) ABL1PDGFRBBCREGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2012-03-01 US disclosed
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2011-08-18 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 (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-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, CHUK, MAP3K2 NPC1 2100/4885RAB9A 1947/4885PSMD14 4131/4885
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, ABL1, MUSK NPC1 4626/4885RAB9A 599/4885PSMD14 4062/4885

“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.