SCHEMBL3751359

SCHEMBL3751359

CN(C)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 1.00
HTR2A P28223 1/20 0.57
BCDIN3D Q7Z5W3 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL3766940 0.86 HTR2C (1.00) HTR2CHTR2ABCDIN3D
SCHEMBL13943730 0.80 HTR2C (0.67) HTR2CBCDIN3DKDM4EMEN1MAPT
SCHEMBL13944190 0.80 HTR2C (1.00) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL13944181 0.80 HTR2C (0.79) HTR2CBCDIN3D
SCHEMBL13944354 0.78 HTR2C (0.77) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL13943308 0.78 HTR2C (0.76) HTR2CHTR2AKDM4EALDH1A1MAPT
SCHEMBL2875609 0.77 HTR2C (0.67) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL3756412 0.77 HTR2C (0.75) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL2805981 0.76 HTR2C (0.98) HTR2CHTR2A
SCHEMBL3756800 0.75 HTR2C (1.00) HTR2CHTR2AMEN1KMT2A

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 5 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
US-8232279-B2 Pyrazolopyrimidine derivatives having biological activity on serotonin receptor 5-HT2c KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-07-31 US disclosed
US-20100298563-A1 PYRAZOLOPYRIMIDINE DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTOR 5-HT2c KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-11-25 US disclosed
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 1/4885HTR2A 4/4885BCDIN3D 4038/4885

“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.