SCHEMBL84061

SCHEMBL84061

CNc1nccc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.43
MAPK10 P53779 1/20 0.43
HTR3A P46098 1/20 0.39
FLT3 P36888 2/20 0.38
DYRK1A Q13627 1/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
PDPK1 O15530 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2039982 0.84 MAPK9 (0.42) MAPK9MAPK10FLT3DYRK1AMAPK13
SCHEMBL2052150 0.84 MAPK9 (0.42) MAPK9MAPK10FLT3DYRK1AMAPK13
SCHEMBL84413 0.82 HRH4 (0.49) MAPK9MAPK10HTR3AHRH4MAPK8
Hydrochloric Acid SCHEMBL29243489 0.80 MAPK9 (0.42) MAPK9MAPK10FLT3DYRK1AMAPK13
SCHEMBL27903061 0.80 MAPK9 (0.39) MAPK9MAPK10FLT3DYRK1AMAPK13
SCHEMBL27903059 0.80 MAPK9 (0.39) MAPK9MAPK10FLT3MAPK14AURKA
SCHEMBL84026 0.79 ACACB (0.40) HTR3APDPK1CYP2C19HRH4
SCHEMBL1800915 0.79 SMN1; SMN2 (0.43) MAPK9MAPK10FLT3DYRK1AMAPK13
SCHEMBL14002039 0.77 MAPK9 (0.37) MAPK9MAPK10HTR3ACYP3A4CYP2D6
SCHEMBL84439 0.77 HRH4 (0.54) CDC7HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 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-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 US disclosed
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAPK9 487/4885MAPK10 497/4885HTR3A 2115/4885
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists CCR2, CCR1, CCR5 MAPK9 1784/4885MAPK10 2350/4885HTR3A 132/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPK9 201/4885MAPK10 362/4885HTR3A 4398/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK9 425/4885MAPK10 311/4885HTR3A 3347/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK9 220/4885MAPK10 223/4885HTR3A 4059/4885

“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.