SCHEMBL10189655

SCHEMBL10189655

CCNc1nc2ccc(C(C)(C)C)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.49
CSNK1G2 P78368 1/20 0.49
MAP3K5 Q99683 1/20 0.49
DYRK1A Q13627 2/20 0.47
POLB P06746 1/20 0.43
RIPK1 Q13546 1/20 0.43
MAPK14 Q16539 1/20 0.43
ACP1 P24666 1/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12829329 0.88 DYRK1A (0.47) CSNK1DCSNK1G2MAP3K5DYRK1APOLB
SCHEMBL13508874 0.84 MAP3K5 (0.49) CSNK1DCSNK1G2MAP3K5DYRK1ARIPK1
SCHEMBL13762162 0.83 LDHA (0.52) CSNK1DCSNK1G2MAP3K5DYRK1AACP1
SCHEMBL13762135 0.82 CSNK1D (0.60) CSNK1DCSNK1G2MAP3K5DYRK1ARAB9A
SCHEMBL7028444 0.81 NPC1 (0.59) CSNK1DCSNK1G2MAP3K5DYRK1AACP1
SCHEMBL14648829 0.81 CSNK1D (0.51) CSNK1DCSNK1G2MAP3K5DYRK1AACP1
SCHEMBL18057144 0.80 MAPK14 (0.47) CSNK1DCSNK1G2MAP3K5DYRK1AMAPK14
SCHEMBL8019525 0.80 NPC1 (0.59) MAP3K5DYRK1APOLBACP1RAB9A
SCHEMBL10189473 0.79 CSNK1D (0.49) CSNK1DCSNK1G2MAP3K5DYRK1AMAPK14
SCHEMBL4500811 0.78 NPC1 (0.50) DYRK1APOLBRIPK1MAPK14RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 CSNK1D 3477/4885CSNK1G2 2819/4885MAP3K5 1439/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 CSNK1D 511/4885CSNK1G2 315/4885MAP3K5 15/4885

“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.