SCHEMBL14738941

SCHEMBL14738941

CC(=O)c1ccc2ncc(C(=O)O)n2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.48
TGFBR2 P37173 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.40
CLK1 P49759 1/20 0.40
PIK3CA P42336 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHB3 P54753 2/20 0.38
RIPK2 O43353 1/20 0.38
KCNJ1 P48048 1/20 0.38

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
SCHEMBL9753957 0.88 KDM4E (0.50) TGFBR1TGFBR2KDM4EADORA2ACLK1
SCHEMBL9941554 0.84 TGFBR1 (0.49) TGFBR1TGFBR2KDM4E
SCHEMBL14741675 0.81 TGFBR1 (0.45) TGFBR1TGFBR2KDM4EADORA2A
SCHEMBL14740380 0.80 TGFBR1 (0.53) TGFBR1TGFBR2KDM4ECLK1
Hydrochloric Acid SCHEMBL30809677 0.79 TGFBR1 (0.52) TGFBR1TGFBR2KDM4ECLK1
SCHEMBL27399413 0.79 RIPK2 (0.39) TGFBR1KDM4EADORA2ARIPK2KCNJ1
SCHEMBL19993512 0.79 NPC1 (0.42) TGFBR1KDM4ENPC1RAB9ARIPK2
SCHEMBL27077073 0.78 TGFBR1 (0.48) TGFBR1TGFBR2ADORA2ACLK1EPHB3
Ethane SCHEMBL18642128 0.77 TGFBR1 (0.48) TGFBR1TGFBR2KDM4ECLK1NPC1
SCHEMBL2817471 0.77 ADORA2A (0.54) TGFBR1TGFBR2KDM4EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-9199981-B2 Compounds and compositions as C-kit kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-9199981-B2 Compounds and compositions as C-kit kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-9199981-B2 Compounds and compositions as C-kit kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-9023839-B2 Compounds and compositions as c-kit kinase inhibitors IRM LLC (BM) 2015-05-05 US disclosed
US-9023839-B2 Compounds and compositions as c-kit kinase inhibitors IRM LLC (BM) 2015-05-05 US disclosed
US-20150051206-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-02-19 US disclosed
US-20150051206-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-02-19 US disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
WO-2013033203-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033070-A1 COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033167-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033070-A1 COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 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 (3 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-20150051206-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TGFBR1 2326/4885TGFBR2 2087/4885KDM4E 721/4885
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TGFBR1 2326/4885TGFBR2 2087/4885KDM4E 721/4885
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TGFBR1 2326/4885TGFBR2 2087/4885KDM4E 721/4885

“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.