SCHEMBL29995684

SCHEMBL29995684

CCN1CCC(Cc2cn3c(N)nc4c(F)cccc4c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.43
HTR3A P46098 4/20 0.43
HTR4 Q13639 4/20 0.43
HTR2C P28335 3/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.41
ADORA2A P29274 6/20 0.39
SRC P12931 2/20 0.37
HTR2A P28223 2/20 0.35
ABL1 P00519 1/20 0.35
DRD2 P14416 1/20 0.35
HRH1 P35367 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL21062987 1.00 HTR2B (0.43) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL29996483 0.89 HTR2B (0.39) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21062896 0.89 HTR2B (0.39) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21099542 0.88 HTR2B (0.39) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21062906 0.87 ADORA2A (0.37) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL29995387 0.87 ADORA2A (0.37) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL29996110 0.87 CCR3 (0.46) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21063195 0.87 CCR3 (0.46) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL21063102 0.86 DRD4 (0.38) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL29996292 0.86 DRD4 (0.38) HTR2BHTR3AHTR4HTR2CHTR7

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
EP-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists MERCK SHARP & DOHME LLC (US) 2022-11-15 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-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists ADORA2A, ADORA3, ADORA1 HTR2B 46/4885HTR3A 8/4885HTR4 69/4885

“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.