SCHEMBL5432627

SCHEMBL5432627

FC(F)(F)c1cccnc1-c1ccc2c(NCCc3ccccc3)ncnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 13/20 0.61
▸ MAPK1 P28482 3/20 0.54
▸ EGFR P00533 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ APP P05067 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ DYRK1A Q13627 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CCNC P24863 1/20 0.46
▸ CDKN1A P38936 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CDK19 Q9BWU1 1/20 0.46

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
SCHEMBL5439572 0.94 TRPV1 (0.59) TRPV1MAPK1EGFRLMNAAPP
SCHEMBL5442775 0.92 TRPV1 (0.70) TRPV1
SCHEMBL5439742 0.92 TRPV1 (0.59) TRPV1HTT
SCHEMBL5439678 0.91 TRPV1 (0.58) TRPV1MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL5430933 0.91 TRPV1 (0.58) TRPV1MAPK1EGFRLMNAAPP
SCHEMBL5262799 0.90 TRPV1 (0.57) TRPV1CLK4
SCHEMBL5428637 0.90 TRPV1 (0.62) TRPV1EGFR
SCHEMBL5436057 0.90 TRPV1 (0.59) TRPV1
SCHEMBL5428616 0.90 TRPV1 (0.61) TRPV1MAPK1EGFRALDH1A1CYP1A2
SCHEMBL5432598 0.89 TRPV1 (0.56) TRPV1HTTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — US disclosed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — US disclosed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — 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 (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-20070219203-A1 Arylalkylamino-substituted quinazoline analogues PIGS, GPR35, HRH4 TRPV1 358/4885MAPK1 3249/4885EGFR 399/4885

“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.

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