SCHEMBL9608912

SCHEMBL9608912

CCc1cc(C(C)(C)C)nn1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
MAPK14 Q16539 16/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
MAPK11 Q15759 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
ERBB2 P04626 1/20 0.40
CNR2 P34972 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
SCHEMBL14037699 0.84 KDM4E (0.37) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL286900 0.82 KDM4E (0.46) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL13004476 0.82 GRN (0.46) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL14214231 0.82 GRN (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL9608955 0.82 ALDH1A1 (0.40) KDM4ELMNA
Hydrochloric Acid SCHEMBL3766097 0.82 GRN (0.46) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL13186123 0.80 MAPK14 (0.48) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL15289971 0.79 KDM4E (0.43) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL12545850 0.78 GRN (0.34) KDM4EGRNSORT1MAPK14LMNA
SCHEMBL12951482 0.78 GRN (0.37) KDM4EGRNSORT1MAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 WO disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
WO-2011037795-A1 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 WO disclosed
US-7618962-B2 Pyrazolyl substituted xanthines PGX HEALTH, LLC (US) 2009-11-17 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 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 (5 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3621/4885GRN 3850/4885SORT1 3940/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 2179/4885GRN 4205/4885SORT1 3415/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 KDM4E 1765/4885GRN 2459/4885SORT1 1774/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH KDM4E 2066/4885GRN 2286/4885SORT1 2333/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KDM4E 4340/4885GRN 3398/4885SORT1 318/4885

“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.