SCHEMBL29805014

SCHEMBL29805014

CC(c1ccc(C(F)(F)F)nn1)c1ncc2ccccc2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PRNP P04156 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ GPR139 Q6DWJ6 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
SCHEMBL29804659 0.74 CCNE2 (0.37) TLR7KDM4EGPR3PCSK9CYP1A2
SCHEMBL31326061 0.69 CYP1A2 (0.43) KDM4EGPR3PCSK9CYP1A2HTR3A
SCHEMBL4547884 0.69 CYP1A2 (0.43) KDM4EGPR3PCSK9CYP1A2HTR3A
SCHEMBL3338274 0.69 CYP1A2 (0.41) PCSK9CYP1A2HTR3AHRH4ALDH1A1
SCHEMBL30772167 0.68 CYP1A2 (0.43) CYP1A2ALDH1A1
SCHEMBL13729618 0.68 CYP3A4 (0.43) —
SCHEMBL3824138 0.67 CYP1A2 (0.41) KDM4EGPR3PCSK9CYP1A2HTR3A
SCHEMBL27922711 0.67 CYP1A2 (0.41) KDM4EGPR3PCSK9CYP1A2HTR3A
SCHEMBL31391457 0.66 KDM4E (0.42) KDM4EGPR3PCSK9CYP1A2HTR3A
SCHEMBL29804583 0.66 CYP1A2 (0.39) TLR7PDE10AKDM4EGPR3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-11 — — US disclosed
US-20220227749-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHARLES RIVER LABORATORIES, INC. 2022-07-21 — — 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 (2 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-20220227749-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 CNR2 156/4885TLR7 453/4885PDE10A 405/4885
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors P2RX3, P2RX5, P2RX1 CNR2 156/4885TLR7 453/4885PDE10A 405/4885

“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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