SCHEMBL29790789

SCHEMBL29790789

COc1ccc2c(c1)ncn1ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
FGFR1 P11362 4/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA6 Q16445 2/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL29790809 0.74 TRPA1 (0.39) EGFRFGFR1TRPA1ALDH1A1MAPK1
SCHEMBL30393172 0.73 MAPT (0.54) EGFRGABRA1GABRG2GABRB3GABRA5
SCHEMBL30277469 0.73 MAOB (0.50) GABRG2GABRB3GABRA5ALDH1A1GRM4
SCHEMBL29475888 0.72 MPO (0.42) EGFRALDH1A1HPGDHTTKDM4E
SCHEMBL29648618 0.72 KDM4E (0.49) ALDH1A1HPGDMAPK1HTTKDM4E
SCHEMBL3594952 0.72 KDM4E (0.49) ALDH1A1HPGDMAPK1HTTKDM4E
SCHEMBL9922443 0.69 GABRA1 (0.50) FGFR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL29790801 0.68 HTR1A (0.43) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL13763602 0.67 TRPA1 (0.62) EGFRHTR1AADRA1DADRA1AADRA1B
SCHEMBL12143474 0.67 EGFR (0.55) EGFRHTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 US disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 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 (4 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 EGFR 1469/4885FGFR1 2035/4885HTR1A 38/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 EGFR 1469/4885FGFR1 2035/4885HTR1A 38/4885
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 EGFR 1430/4885FGFR1 1924/4885HTR1A 40/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 EGFR 1430/4885FGFR1 1924/4885HTR1A 40/4885

“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.