SCHEMBL2695378

SCHEMBL2695378

CC(=O)Nc1cccc(Nc2cc(N(C)c3cccs3)c(C(N)=O)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 2/20 0.44
▸ CCNT1 O60563 2/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ DYRK2 Q92630 2/20 0.44
▸ DYRK1B Q9Y463 2/20 0.44
▸ JAK3 P52333 3/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40

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
SCHEMBL913066 0.81 ATR (0.43) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL914135 0.79 GABRG2 (0.48) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2695381 0.78 JAK3 (0.55) JAK3NPC1MAPTRAB9AL3MBTL1
SCHEMBL912990 0.78 PIK3CA (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2694831 0.78 SYK (0.54) —
SCHEMBL913561 0.77 BRAF (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2695988 0.76 SIRT2 (0.42) JAK3NPC1MAPTRAB9AL3MBTL1
SCHEMBL3714460 0.75 JAK3 (0.52) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2692918 0.74 NNMT (0.36) FYNPDE4BALDH1A1
SCHEMBL3712327 0.74 JAK3 (0.46) DYRK3CCNT1CCNA2CDK2CDK9

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US claimed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US claimed
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — 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 (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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK DYRK3 2147/4885CCNT1 964/4885CCNA2 1943/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK DYRK3 2147/4885CCNT1 964/4885CCNA2 1943/4885

“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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