SCHEMBL1491839

SCHEMBL1491839

Cc1nc(Cl)cc(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.45
CDK7 P50613 8/20 0.44
CDK9 P50750 8/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PPARG P37231 1/20 0.42
RXRG P48443 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
SYK P43405 1/20 0.42
INSR P06213 5/20 0.41
MET P08581 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31247606 0.85 TYK2 (0.50) ALKPOLBGAANPC1RAB9A
SCHEMBL1491760 0.81 BRAF (0.49) ALKCDK7CDK9INSRMET
SCHEMBL14866194 0.78 ALK (0.54) ALKCDK7CDK9INSR
SCHEMBL1491755 0.75 CDK7 (0.58) ALKCDK7CDK9INSRMET
SCHEMBL11900971 0.74 ALK (0.47) ALKCDK7CDK9INSR
SCHEMBL14866230 0.74 ALK (0.55) ALKCDK7CDK9INSRMET
SCHEMBL19912065 0.73 ALK (0.66) ALKCDK7CDK9INSRMET
SCHEMBL20887603 0.73 TTK (0.55) ALKCDK7CDK9INSRMET
SCHEMBL1491776 0.73 ALK (0.46) ALKCDK7CDK9INSRMET
SCHEMBL28681862 0.73 ALK (0.54) ALKCDK7CDK9INSRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885CDK7 104/4885CDK9 60/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 265/4885CDK7 96/4885CDK9 59/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885CDK7 148/4885CDK9 149/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885CDK7 104/4885CDK9 60/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885CDK7 104/4885CDK9 60/4885

“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.