SCHEMBL4494347

SCHEMBL4494347

Cc1cnc(Cc2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
TAAR1 Q96RJ0 2/20 0.48
GAA P10253 1/20 0.46
AOC3 Q16853 1/20 0.46
CAPN1 P07384 1/20 0.45
DAO P14920 2/20 0.44
PDE10A Q9Y233 1/20 0.43
CALM1 P0DP23 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL9783055 0.83 HPGDS (0.45) HPGDSTAAR1GAAAOC3CAPN1
SCHEMBL9783052 0.83 HPGDS (0.42) HPGDSTAAR1GAAAOC3CAPN1
SCHEMBL9783079 0.82 HPGDS (0.41) HPGDSTAAR1GAAAOC3CAPN1
SCHEMBL16016402 0.81 MAPT (0.42) HPGDSTAAR1GAA
SCHEMBL1507946 0.77 HRH3 (0.47) HRH3
SCHEMBL11552467 0.76 HPGDS (0.50) HPGDSTAAR1GAAAOC3CAPN1
SCHEMBL7688678 0.76 HPGDS (0.50) HPGDSTAAR1GAAAOC3CAPN1
SCHEMBL4439049 0.76 HPGDS (0.50) HPGDSTAAR1GAAAOC3CAPN1
Hydrochloric Acid SCHEMBL11382369 0.74 HIF1A (0.38) HPGDSTAAR1PDE10AKMT2A
SCHEMBL8957090 0.74 HRH1 (0.62) HPGDSTAAR1GAAAOC3CAPN1

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-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. 2004-03-18 US claimed
US-6664277-B1 O-dichlorophenyl-pyridinyl-pyrazolyl-amido derivatives; geranylgeranyl-protein transferase inhibitors PPD DISCOVERY, INC. 2003-12-16 US claimed
US-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20070010561-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-01-11 US disclosed
US-7112596-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-09-26 US disclosed
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-02-02 US disclosed
US-6960603-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2005-11-01 US disclosed
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. 2004-03-18 US disclosed
US-6664277-B1 O-dichlorophenyl-pyridinyl-pyrazolyl-amido derivatives; geranylgeranyl-protein transferase inhibitors PPD DISCOVERY, INC. 2003-12-16 US disclosed
US-6649638-B1 5-Pyridin-3-yl-1H-pyrazole-3-carboxylic amide derivatives; cancer, restenosis, psoriasis, endometriosis, atherosclerosis, viral or yeast infection, and corneal neovascularization treatment PPD DISCOVERY, INC. 2003-11-18 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 (3 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-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 HPGDS 240/4885TAAR1 4864/4885GAA 2152/4885
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 HPGDS 240/4885TAAR1 4864/4885GAA 2152/4885
US-20070010561-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE FNTA, RCE1, GGPS1 HPGDS 240/4885TAAR1 4864/4885GAA 2152/4885

“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.