SCHEMBL7991401

SCHEMBL7991401

Cc1cc2ccnnc2cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2A6 P11509 1/20 0.45
UHRF1 Q96T88 2/20 0.35
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
PRKDC P78527 1/20 0.31
PIK3CD O00329 1/20 0.31
IL5 P05113 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL7992046 0.84 CYP1A2 (0.45) CYP1A2CYP2A6UHRF1PDE10ACLK1
SCHEMBL12702786 0.76 GRM4 (0.33)
SCHEMBL2736738 0.73 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL8404464 0.72 NQO2 (0.43) CYP1A2ALDH1A1PDE10APRKDC
SCHEMBL12696162 0.72 CYP1A2 (0.54) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL21037211 0.72 PDE10A (0.41) PDE10A
SCHEMBL2616767 0.71 ALDH1A1 (0.53) CYP1A2CYP2A6ALDH1A1
SCHEMBL16523084 0.71 CYP1A2 (0.44) CYP1A2CYP2A6UHRF1CCR1CCR5
SCHEMBL22045620 0.70 CSNK1D (0.36) ALDH1A1CLK1DYRK1APIK3CD
SCHEMBL14644341 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 WO disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 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-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 CYP1A2 3274/4885CYP2A6 3568/4885UHRF1 2111/4885

“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.