SCHEMBL3755109

SCHEMBL3755109

Cn1ncc2c(Nc3ccc(F)cc3)nc(NCc3ccccc3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 1.00
BCDIN3D Q7Z5W3 12/20 0.71
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
HTR2A P28223 1/20 0.60

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
SCHEMBL13942978 0.90 HTR2C (1.00) HTR2CBCDIN3DTP53MAPTHTR2A
SCHEMBL13944173 0.90 HTR2C (0.82) HTR2CBCDIN3DTP53MAPT
SCHEMBL13944739 0.88 HTR2C (0.78) HTR2CBCDIN3DTP53MAPT
SCHEMBL13944354 0.87 HTR2C (0.77) HTR2CBCDIN3DTP53MAPT
SCHEMBL13943279 0.86 HTR2C (0.82) HTR2CBCDIN3DTP53MAPT
SCHEMBL3756412 0.86 HTR2C (0.75) HTR2CBCDIN3DTP53MAPT
SCHEMBL13943263 0.86 HTR2C (0.75) HTR2CBCDIN3DTP53MAPT
SCHEMBL13942981 0.85 HTR2C (0.74) HTR2CBCDIN3DTP53MAPT
SCHEMBL13942992 0.84 HTR2C (0.72) HTR2CBCDIN3DTP53MAPT
SCHEMBL13944365 0.83 HTR2C (0.71) HTR2CBCDIN3D

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-8232279-B2 Pyrazolopyrimidine derivatives having biological activity on serotonin receptor 5-HT2c KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-07-31 US claimed
US-20100298563-A1 PYRAZOLOPYRIMIDINE DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTOR 5-HT2c KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-11-25 US claimed
WO-2009023978-A1 PYRAZOLO [3,4 -D] PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF PROTEIN KINASE ONCALIS AG (CH) 2009-02-26 WO 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-20100298563-A1 PYRAZOLOPYRIMIDINE DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTOR 5-HT2c HTR2C, HTR5A, HTR3C HTR2C 1/4885BCDIN3D 4038/4885TP53 4813/4885

“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.