SCHEMBL5255181

SCHEMBL5255181

Clc1nc[nH]c2cccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.42
PARP1 P09874 2/20 0.35
PIM1 P11309 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35

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
SCHEMBL5733606 0.74 IDO1 (0.42) IDO1ADRA2AALDH1A1POLBRXFP1
SCHEMBL7517293 0.74 IDO1 (0.41) IDO1PARP1PIM1MAP4K4CSF1R
SCHEMBL21437991 0.68 HSD17B10 (0.44) IDO1PARP1ALDH1A1POLBRXFP1
SCHEMBL1374153 0.65 KDM4A (0.37) IDO1CDK5
SCHEMBL6998276 0.65 NPC1 (0.36) IDO1GSK3BCDK5ALDH1A1MEN1
SCHEMBL27513844 0.64 MEN1 (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL5375138 0.64
SCHEMBL17634049 0.64 MEN1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL28413211 0.61 IDO1 (0.53) IDO1PIM1ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL30898465 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-03-03 US disclosed
US-20180118695-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-05-03 US disclosed
US-9624178-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antitmitotic and/or antitumor activity methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-04-18 US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 US disclosed
CN-100398524-C Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CFR antagonists ROCHE PALO ALTO LLC (CH) 2008-07-02 CN disclosed
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
US-7138398-B2 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
CN-1835931-A Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CFR antagonists ROCHE PALO ALTO LLC (CH) 2006-09-20 CN disclosed
EP-1656354-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
EP-1131302-B1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA [D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-02-01 EP disclosed
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005014557-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-20040048850-A1 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-03-11 US disclosed
US-6627628-B1 Cardiovascular diseases such as hypertension, angina pectoris, heart failure, thrombosis and atherosclerosis. The compounds of formula (I) are able to modulate the body's own production of cyclic guanosine monophosphate (cGMP) and are suitable for AVENTIS PHARMA DEUTSCHLAND, GMBH (DE) 2003-09-30 US disclosed
EP-1131302-A1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICALREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-09-12 EP disclosed
WO-2000031047-A1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA[D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICALREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-06-02 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 (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-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCG2, ABCB1, ABCC1 IDO1 4123/4885PARP1 518/4885PIM1 1692/4885
US-20040048850-A1 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them PDE3A, PDE2A, NPR1 IDO1 2636/4885PARP1 1195/4885PIM1 1906/4885
US-20180118695-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCB1, ABCC1 IDO1 4123/4885PARP1 518/4885PIM1 1692/4885
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof ABCC1, ABCG2, ABCB1 IDO1 4169/4885PARP1 760/4885PIM1 2015/4885
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists CRHR1, AVPR2, CRHR2 IDO1 1047/4885PARP1 3416/4885PIM1 3362/4885

“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.