SCHEMBL629223

SCHEMBL629223

COC(=O)c1cc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 14/20 0.58
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.47
PPP1CA P62136 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
MARS1 P56192 1/20 0.45

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
Hydrochloric Acid SCHEMBL629222 0.99 RPA1 (0.57) RPA1SMN1; SMN2NR4A2PPP1CANPC1
SCHEMBL1986774 0.86 RPA1 (0.77) RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL13902218 0.80 RPA1 (0.55) RPA1SMN1; SMN2PPP1CANPC1MAPT
SCHEMBL14626195 0.78 MKNK1 (0.43) RPA1NR4A2NPC1MAPTRAB9A
SCHEMBL13912443 0.78 RPA1 (0.44) RPA1NPC1MAPTRAB9A
SCHEMBL12278777 0.78 NR4A2 (0.49) SMN1; SMN2NR4A2NPC1MAPTRAB9A
SCHEMBL8369157 0.77 RPA1 (0.65) RPA1SMN1; SMN2PPP1CA
SCHEMBL14591226 0.77 RPA1 (0.51) RPA1MARS1
SCHEMBL13902212 0.77 RPA1 (0.51) RPA1MARS1
SCHEMBL629916 0.77 NPC1 (0.53) RPA1NPC1MAPTRAB9A

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-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-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-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-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 RPA1 3143/4885SMN1; SMN2 3523/4885NR4A2 3479/4885
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 RPA1 3242/4885SMN1; SMN2 3780/4885NR4A2 3749/4885
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 RPA1 3481/4885SMN1; SMN2 4110/4885NR4A2 2691/4885
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 RPA1 3242/4885SMN1; SMN2 3780/4885NR4A2 3749/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA RPA1 3143/4885SMN1; SMN2 3523/4885NR4A2 3479/4885

“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.