SCHEMBL9844054

SCHEMBL9844054

CCCCc1nc2ncccc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 19/20 0.71
PARP1 P09874 1/20 0.63

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
SCHEMBL11578825 0.85 HCAR2 (0.62) HCAR2
SCHEMBL1867121 0.83 HCAR2 (1.00) HCAR2
SCHEMBL1870049 0.82 HCAR2 (1.00) HCAR2
SCHEMBL1868458 0.82 HCAR2 (1.00) HCAR2
SCHEMBL1876556 0.80 HCAR2 (0.79) HCAR2
SCHEMBL1870059 0.80 HCAR2 (0.79) HCAR2
SCHEMBL1871754 0.80 HCAR2 (0.85) HCAR2
SCHEMBL1872828 0.80 HCAR2 (0.74) HCAR2
SCHEMBL1871441 0.80 HCAR2 (0.67) HCAR2PARP1
SCHEMBL1870370 0.79 HCAR2 (0.80) HCAR2

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-12479830-B2 Homopiperazinyl and homopiperidinyl quinazolin-4(3H)-one derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2025-11-25 US disclosed
US-20220380345-A1 HOMOPIPERAZINYL AND HOMOPIPERIDINYL QUINAZOLIN-4(3H)-ONE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-12-01 US disclosed
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP 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-12479830-B2 Homopiperazinyl and homopiperidinyl quinazolin-4(3H)-one derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 HCAR2 247/4885PARP1 1936/4885
US-20220380345-A1 HOMOPIPERAZINYL AND HOMOPIPERIDINYL QUINAZOLIN-4(3H)-ONE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 HCAR2 247/4885PARP1 1936/4885

“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.