SCHEMBL84157

SCHEMBL84157

CNc1nccc(C(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.50
DYRK1A Q13627 1/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TTK P33981 1/20 0.36
INCENP Q9NQS7 1/20 0.36
FLT3 P36888 1/20 0.36
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDPK1 O15530 1/20 0.35
ROCK1 Q13464 1/20 0.34
CDK2 P24941 2/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL4399077 0.82 SYK (0.37) SYKDYRK1AAURKAAURKBMAPK13
SCHEMBL3265212 0.82 SYK (0.49) SYKHPGDATML3MBTL1TAS2R14
SCHEMBL24650224 0.79 SYK (0.47) SYKMAPK9CDK7MEN1ALDH1A1
SCHEMBL16844971 0.77 HRH4 (0.52) SYK
SCHEMBL15181300 0.76 SYK (0.44) SYKCDC7ALDH1A1KMT2A
SCHEMBL84117 0.76 SYK (0.48) SYKAURKAAURKBTTKINCENP
SCHEMBL15181297 0.74 HRH4 (0.51) SYKCDC7
SCHEMBL21387693 0.73 SYK (0.43) SYK
SCHEMBL11988199 0.73 HRH4 (0.52) SYKFLT3
SCHEMBL18029620 0.73 HPGD (0.42) SYKHPGDATML3MBTL1TAS2R14

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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase THE CHILDREN'S HOSPITAL CORPORATION (US) 2019-05-14 US disclosed
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE THE GENERAL HOSPITAL CORPORATION (US) 2016-06-16 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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 (6 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP SYK 1478/4885DYRK1A 3138/4885AURKA 2082/4885
US-10287279-B2 Inhibitors of human 12/15-lipoxygenase ALOX15, ALOX12, ALOX15B SYK 4691/4885DYRK1A 4122/4885AURKA 2471/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 SYK 1300/4885DYRK1A 1315/4885AURKA 1127/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS SYK 1136/4885DYRK1A 776/4885AURKA 145/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS SYK 1204/4885DYRK1A 1628/4885AURKA 514/4885
US-20160168137-A1 INHIBITORS OF HUMAN 12/15-LIPOXYGENASE ALOX15, ALOX12, ALOX15B SYK 4691/4885DYRK1A 4122/4885AURKA 2471/4885

“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.