SCHEMBL1197985

SCHEMBL1197985

Cc1cnc(Nc2cccc(C#N)c2)nc1Nc1ccc2c(c1)N(C)C(=O)CS2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.56
▸ JAK3 P52333 4/20 0.56
▸ SYK P43405 2/20 0.49
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ BRD4 O60885 5/20 0.45
▸ USP2 O75604 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL1197711 0.85 MAPT (0.55) JAK1JAK3SYKMAPTALDH1A1
SCHEMBL4003299 0.84 JAK3 (0.63) JAK1JAK3SYKBRD4MAPK1
SCHEMBL1197593 0.83 JAK1 (0.58) JAK1JAK3SYKBRD4MAOB
SCHEMBL1198393 0.81 JAK1 (0.59) JAK1JAK3SYKBRD4MAOB
SCHEMBL3999283 0.81 JAK3 (0.54) JAK1JAK3SYKMAPK1EGFR
SCHEMBL3997161 0.81 BRD4 (0.48) JAK1JAK3SYKMAPTALDH1A1
SCHEMBL1475149 0.80 BRD4 (0.51) JAK1JAK3MAPTALDH1A1BRD4
SCHEMBL3997545 0.79 MAPT (0.52) MAPTALDH1A1USP2HTTMAPK1
SCHEMBL3112988 0.78 PDGFRA (0.61) JAK1JAK3BRD4BTK
SCHEMBL1474544 0.78 BRD4 (0.49) JAK1JAK3MAPTALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 — — US claimed
WO-2008118823-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 — — WO claimed
US-8299087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-10-30 — — US disclosed
US-20110027856-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-7834024-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
WO-2008118823-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 — — 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-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885SYK 62/4885

“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.

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