SCHEMBL145486

SCHEMBL145486

CC(C)(C)c1cc(C(=O)Nc2nccc3ccccc23)n(Cc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 9/20 0.63
GRN P28799 4/20 0.58
SORT1 Q99523 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPT P10636 5/20 0.56
GAA P10253 5/20 0.56
MAPK1 P28482 4/20 0.56
ALDH1A1 P00352 4/20 0.56
AGTR1 P30556 1/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR1E P28566 1/20 0.50
S1PR3 Q99500 1/20 0.50
RECQL P46063 1/20 0.50
DRD2 P14416 1/20 0.47

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
SCHEMBL145428 0.84 NPSR1 (0.69) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL8008051 0.81 DRD3 (0.46) NPSR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1898164 0.81 NPSR1 (0.89) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL144205 0.80 NPSR1 (0.69) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL145031 0.80 NPSR1 (0.72) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL148798 0.80 NPSR1 (0.66) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL143851 0.79 NPSR1 (0.81) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL7998733 0.79 DRD3 (0.43) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL1897764 0.78 GRN (0.72) NPSR1GRNSORT1CYP1A2CYP2D6
SCHEMBL142188 0.78 NPSR1 (0.69) NPSR1GRNSORT1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 NPSR1 3871/4885GRN 2289/4885SORT1 925/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 NPSR1 3871/4885GRN 2289/4885SORT1 925/4885

“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.