SCHEMBL3759602

SCHEMBL3759602

CC1(C)OB(c2ccc3nc(Nc4ccccc4)[nH]c3c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
CSNK1D P48730 6/20 0.46
CSNK1A1 P48729 5/20 0.46
CSNK1G2 P78368 5/20 0.46
GSK3B P49841 4/20 0.46
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3301830 0.83 LPL (0.38) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL3765301 0.79 NPC1 (0.52) MEN1KMT2AHDAC6LPLLIPG
SCHEMBL22085181 0.78 LMNA (0.52) GSK3BRAF1MEN1KMT2APOLB
SCHEMBL15574354 0.76 ALDH1A1 (0.49) MEN1KMT2ALPLLIPGPOLB
SCHEMBL20732668 0.76 TBK1 (0.40)
SCHEMBL3761817 0.76 GAA (0.55) RIPK1EGFRPOLBRAB9ASMN1; SMN2
SCHEMBL15296449 0.75 EGFR (0.40) EGFRLPLLIPGSMN1; SMN2
SCHEMBL3831957 0.75 PLAU (0.47) EGFRMEN1KMT2ALPLLIPG
SCHEMBL18236211 0.74 ADORA2A (0.64) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL9718864 0.74 RIPK1 (0.63) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-9365566-B2 Cinnoline derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
US-20150038510-A1 CINNOLINE DERIVATIVES TAKEDA CALIFORNIA, INC. 2015-02-05 US disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 RIPK1 1697/4885CSNK1D 224/4885CSNK1A1 81/4885
US-20150038510-A1 CINNOLINE DERIVATIVES BTK, LYN, ABL1 RIPK1 1579/4885CSNK1D 38/4885CSNK1A1 17/4885

“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.