SCHEMBL629916

SCHEMBL629916

Nc1cc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
RPA1 P27694 8/20 0.48
PTGS2 P35354 1/20 0.45
USP8 P40818 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ADORA2A P29274 2/20 0.43
NQO2 P16083 1/20 0.43
ADORA2B P29275 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.41
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 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
SCHEMBL1986774 0.80 RPA1 (0.77) RPA1
SCHEMBL13901964 0.78 USP8 (0.52) NPC1MAPTRAB9ARPA1USP8
SCHEMBL629223 0.77 RPA1 (0.58) NPC1MAPTRAB9ARPA1
SCHEMBL13902187 0.76 USP8 (0.53) NPC1MAPTRAB9ARPA1USP8
Hydrochloric Acid SCHEMBL629222 0.76 RPA1 (0.57) NPC1MAPTRAB9ARPA1
SCHEMBL15070234 0.75 USP8 (0.49) NPC1MAPTRAB9ARPA1USP8
SCHEMBL10167894 0.75 MAPT (0.54) NPC1MAPTRAB9ARPA1USP8
SCHEMBL13902218 0.74 RPA1 (0.55) NPC1MAPTRAB9ARPA1
SCHEMBL13902189 0.74 RPA1 (0.65) NPC1MAPTRAB9ARPA1USP8
SCHEMBL10168237 0.74 USP8 (0.48) NPC1MAPTRAB9ARPA1PTGS2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
US-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 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
EP-1534279-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP disclosed
EP-1534680-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP disclosed
US-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use DEVELOPMENT PARTNERS, LLC 2005-01-06 US disclosed
US-20040116425-A1 Prenylation inhibitors and methods of their synthesis and use X-CHEM, INC. 2004-06-17 US disclosed
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. 2004-03-18 US disclosed
WO-2004016741-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO disclosed
WO-2004016592-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO 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 (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-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use RCE1, GGPS1, FNTA NPC1 39/4885MAPT 3212/4885RAB9A 779/4885
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 NPC1 15/4885MAPT 3074/4885RAB9A 327/4885
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 NPC1 84/4885MAPT 1219/4885RAB9A 774/4885
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 NPC1 15/4885MAPT 3074/4885RAB9A 327/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA NPC1 39/4885MAPT 3212/4885RAB9A 779/4885

“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.