SCHEMBL4381741

SCHEMBL4381741

CSc1nc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)nc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
ALK Q9UM73 1/20 0.51
JAK3 P52333 5/20 0.50
BTK Q06187 4/20 0.50
FLT3 P36888 3/20 0.49
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
CCNB1 P14635 1/20 0.49
CCNE1 P24864 1/20 0.49
TTK P33981 2/20 0.48
SYK P43405 3/20 0.48
MAP3K7 O43318 1/20 0.48
AURKA O14965 1/20 0.47
CDK4 P11802 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
AURKB Q96GD4 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL12085284 0.84 SYK (0.60) EGFRALKJAK3BTKFLT3
SCHEMBL1019450 0.84 JAK3 (0.55) EGFRALKJAK3BTKFLT3
SCHEMBL1017585 0.83 JAK3 (0.54) EGFRALKJAK3BTKFLT3
SCHEMBL4381751 0.82 EGFR (0.50) EGFRALKJAK3BTKFLT3
SCHEMBL1019052 0.82 TTK (0.47) EGFRJAK3BTKTTKMAP3K7
SCHEMBL12085413 0.82 JAK3 (0.66) EGFRALKJAK3BTKSYK
SCHEMBL1073042 0.81 SYK (0.64) EGFRALKJAK3BTKSYK
SCHEMBL1018255 0.81 SYK (0.64) EGFRALKJAK3BTKSYK
SCHEMBL4376418 0.81 SYK (0.64) EGFRALKJAK3BTKSYK
SCHEMBL12085396 0.80 JAK3 (0.53) EGFRALKJAK3BTKFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 EGFR 805/4885ALK 180/4885JAK3 6/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 EGFR 805/4885ALK 180/4885JAK3 6/4885

“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.