SCHEMBL1016685

SCHEMBL1016685

CC(=O)N1CCN(c2ccc(Nc3nc(N4CCC(CN)CC4)c4c(C#N)c[nH]c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.48
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CDK7 P50613 4/20 0.48
CCNH P51946 4/20 0.48
MNAT1 P51948 3/20 0.48
EGFR P00533 6/20 0.45
JAK3 P52333 6/20 0.45
BTK Q06187 6/20 0.45
ITK Q08881 6/20 0.45
SYK P43405 7/20 0.45
CDK2 P24941 4/20 0.44
CCNE1 P24864 3/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK9 P50750 1/20 0.43
CCNA1 P78396 1/20 0.43
JAK2 O60674 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL13666822 0.89 EGFR (0.47) FLT3CDK1CCNB1EGFRJAK3
SCHEMBL1018569 0.82 TTK (0.57) FLT3CDK1CCNB1CDK7CCNH
SCHEMBL1019395 0.82 EGFR (0.50) EGFRJAK3BTKSYK
SCHEMBL1081044 0.81 SYK (0.51) JAK3SYKJAK2
SCHEMBL1018817 0.80 SYK (0.55) FLT3CDK1CCNB1CDK7CCNH
SCHEMBL14666819 0.77 SYK (0.65) FLT3CDK1CCNB1CDK7CCNH
SCHEMBL1018816 0.77 FLT3 (0.47) FLT3CDK1CCNB1CDK7CCNH
SCHEMBL1019473 0.76 ALK (0.66) FLT3SYKJAK2
SCHEMBL1017426 0.76 SYK (0.58) SYK
SCHEMBL3698614 0.76 SYK (0.49) FLT3JAK3BTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed
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-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 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-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 FLT3 18/4885CDK1 275/4885CCNB1 1818/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 FLT3 18/4885CDK1 275/4885CCNB1 1818/4885

“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.