SCHEMBL4968804

SCHEMBL4968804

O=C(O)c1ccc2c(Cl)ncnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TSHR P16473 2/20 0.44
CSNK2A2 P19784 6/20 0.44
CSNK2B P67870 4/20 0.44
CDH1 P12830 1/20 0.43
APC P25054 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
CSNK2A1 P68400 5/20 0.41
TTR P02766 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HKDC1 Q2TB90 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
Hydrochloric Acid SCHEMBL6332115 0.98 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5191348 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6332114 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCSNK2A2
SCHEMBL6843232 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL694117 0.81 CSNK2A1 (0.57) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6768352 0.81 TDP1 (0.43) TSHRCSNK2A2CSNK2BKDM4ERECQL
SCHEMBL29648006 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCSNK2A2
SCHEMBL8276502 0.79 XDH (0.48) KDM4ERECQLTDP1CSNK2A1NPC1
SCHEMBL16447569 0.79 TDP1 (0.54) KDM4ETDP1NPC1RAB9AHKDC1
SCHEMBL6332625 0.77 HPGD (0.52) TSHRTDP1L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed
CN-101341133-A Quinazoline derivatives, process for their preparation and their use as anti-cancer agents ASTRAZENECA AB (SE) 2009-01-07 CN disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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 (1 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS PDE4A 1790/4885PDE4B 1223/4885PDE4C 1737/4885

“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.