SCHEMBL5136956

SCHEMBL5136956

CC(Nc1nc(Cl)nc(Cl)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TBK1 Q9UHD2 1/20 0.34
NPR3 P17342 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2B P29275 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL5074950 0.86 TBK1 (0.37) GAASMN1; SMN2TBK1ADORA2AALDH1A1
SCHEMBL5635121 0.86 TBK1 (0.37) GAASMN1; SMN2TBK1ADORA2AALDH1A1
SCHEMBL5137510 0.85 TBK1 (0.36) GAASMN1; SMN2CA12CA1CA2
SCHEMBL5136692 0.85 TBK1 (0.36) GAASMN1; SMN2CA12CA1CA2
SCHEMBL5136694 0.85 TBK1 (0.36) GAASMN1; SMN2CA12CA1CA2
SCHEMBL15381205 0.84 MAPK1 (0.46) GAATDP1SMN1; SMN2NPR3CYP2C9
SCHEMBL5078770 0.80 ATF1 (0.39) GAASMN1; SMN2TBK1ALDH1A1KDM4E
SCHEMBL5635889 0.80 ATF1 (0.39) GAASMN1; SMN2TBK1ALDH1A1KDM4E
SCHEMBL1719342 0.76 LOXL2 (0.39) GAASMN1; SMN2TBK1ADORA2AALDH1A1
SCHEMBL14853836 0.76 TBK1 (0.37) GAASMN1; SMN2TBK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-1931674-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmceuticals Incorporated (US) 2008-06-18 EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 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 (1 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 GAA 1749/4885TDP1 539/4885SMN1; SMN2 3118/4885

“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.