SCHEMBL2296526

SCHEMBL2296526

N#CNc1cccc2c1OC(F)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
CXCR2 P25025 2/20 0.34
BACE1 P56817 2/20 0.34
ALOX15 P16050 1/20 0.33
SRC P12931 1/20 0.31
MPO P05164 1/20 0.30

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
SCHEMBL5468578 0.83 ATR (0.38) ATRCXCR2BACE1ALOX15SRC
SCHEMBL2244599 0.77 ATR (0.40) ATRCXCR2BACE1ALOX15SRC
SCHEMBL8171638 0.77 BACE1 (0.38) ATRCXCR2BACE1ALOX15SRC
SCHEMBL5468582 0.77 ATR (0.38) ATRCXCR2BACE1ALOX15SRC
SCHEMBL10077617 0.73 ATR (0.38) ATRCXCR2BACE1ALOX15SRC
SCHEMBL8180959 0.73 ALOX15 (0.36) ATRCXCR2BACE1ALOX15SRC
SCHEMBL6114075 0.71 ATR (0.44) ATRCXCR2BACE1ALOX15
SCHEMBL29263826 0.71 ATR (0.39) ATRCXCR2BACE1ALOX15
SCHEMBL1441735 0.71 ATR (0.49) ATRCXCR2BACE1ALOX15
SCHEMBL5325701 0.71 MPO (0.33) ATRMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-11-21 US disclosed
US-8481578-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
EP-2019826-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-08-29 EP disclosed
US-20120165378-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8039661-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-20110190507-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 US disclosed
US-7851495-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-14 US disclosed
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-03-20 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 (4 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-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 ATR 628/4885CXCR2 2356/4885BACE1 3413/4885
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, MAP3K5, PACSIN2 ATR 628/4885CXCR2 2356/4885BACE1 3413/4885
US-20110190507-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 ATR 628/4885CXCR2 2356/4885BACE1 3413/4885
US-20120165378-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 ATR 628/4885CXCR2 2356/4885BACE1 3413/4885

“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.