SCHEMBL913066

SCHEMBL913066

CC(=O)Nc1cccc(Nc2cc(N(C)c3cccnc3)c(C(N)=O)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
JAK3 P52333 3/20 0.43
GRM5 P41594 2/20 0.43
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAP3K5 Q99683 1/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
BRAF P15056 1/20 0.41
GABRG2 P18507 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
SCHEMBL913616 0.85 RAB9A (0.43) DYRK1AGAAHPGDAURKA
SCHEMBL914302 0.83 MAP3K5 (0.51) ATRJAK3MAP3K5JAK2BTK
SCHEMBL913863 0.83 BUB1 (0.40) ATRJAK3GRM5DYRK1AJAK2
SCHEMBL913561 0.81 BRAF (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2695378 0.81 DYRK3 (0.44) JAK3DYRK3CCNT1CCNA2CDK2
SCHEMBL913068 0.80 JAK3 (0.62) JAK3CDK5CDK5R1JAK2JAK1
SCHEMBL3714460 0.80 JAK3 (0.52) JAK3DYRK3CCNT1CCNA2CDK2
SCHEMBL914135 0.80 GABRG2 (0.48) JAK3DYRK3CCNT1CCNA2CDK2
SCHEMBL912990 0.79 PIK3CA (0.49) JAK3DYRK3CCNT1CCNA2CDK2
SCHEMBL2697897 0.77 SIRT2 (0.43) JAK3JAK2JAK1TYK2IRAK4

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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ATR 2413/4885JAK3 3/4885GRM5 2587/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ATR 2413/4885JAK3 3/4885GRM5 2587/4885

“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.