SCHEMBL13400641

SCHEMBL13400641

CC(C)(C)c1ccnc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
LATS1 O95835 17/20 0.37
LATS2 Q9NRM7 15/20 0.37
ROCK2 O75116 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCQ Q04759 1/20 0.35
ROCK1 Q13464 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35

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
SCHEMBL10327439 0.85 CCNC (0.40)
SCHEMBL21849078 0.80 LATS1 (0.32) KDM4CLATS1LATS2ROCK2PRKCH
SCHEMBL22792562 0.78 KDM4A (0.39) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL803131 0.76 NCF1 (0.50)
SCHEMBL14289089 0.76 LATS1 (0.38) LATS1LATS2ROCK2PRKCHPRKCQ
SCHEMBL15745717 0.76 MAPT (0.43) LATS1LATS2
SCHEMBL18350677 0.75 KIF11 (0.35) LATS1LATS2ROCK2PRKCHPRKCQ
SCHEMBL8277148 0.74 CCR1 (0.46) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL1705592 0.72 KIF11 (0.39) LATS1
SCHEMBL10315757 0.72 HTR1A (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 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 (7 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4C 3292/4885KDM4A 3027/4885KDM4B 3367/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 KDM4C 3494/4885KDM4A 2645/4885KDM4B 3761/4885
US-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX KDM4C 2485/4885KDM4A 2584/4885KDM4B 2497/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ KDM4C 4118/4885KDM4A 3656/4885KDM4B 3785/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4C 3292/4885KDM4A 3027/4885KDM4B 3367/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 KDM4C 1789/4885KDM4A 1734/4885KDM4B 1211/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET KDM4C 3261/4885KDM4A 3246/4885KDM4B 3182/4885

“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.