SCHEMBL1135286

SCHEMBL1135286

COCOc1cccc(CO)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
EGFR P00533 2/20 0.35
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33

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
SCHEMBL1606856 0.83 PTPN1 (0.42) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL1907925 0.82 PDE4A (0.44) SLC6A2SLC6A4PDCD1CD274IDO1
SCHEMBL2048597 0.82 EGFR (0.41) PTPN1EGFRIDO1
SCHEMBL6283334 0.81 PTPN1 (0.40) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL30566658 0.81 PTPN1 (0.46) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL3903483 0.81 PDCD1 (0.44) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL7574010 0.79 CNR1 (0.41) SLC6A2SLC6A4
SCHEMBL2046409 0.78 SMN1; SMN2 (0.44) PTPN1BACE1SMN1; SMN2
SCHEMBL10434845 0.78 PTPN1 (0.38) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL9701470 0.78 PTPN1 (0.33) PTPN1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
EP-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed
CN-101142212-A 2-phenoxy-n-(1,3,4-thiadizol-2-yl)pyridin-3-amine derivatives and related compounds as p2y1 receptor inhibitors for the treatment of thromboembolic disorders BRISTOL MYERS SQUIBB CO (US) 2008-03-12 CN disclosed
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-03 US disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed
EP-0496548-A1 Carbacyclin analogs PURDUE RESEARCH FOUNDATION (US) 1992-07-29 EP 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 PTPN1 405/4885SLC6A2 1659/4885SLC6A4 1426/4885
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 PTPN1 405/4885SLC6A2 1659/4885SLC6A4 1426/4885

“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.