SCHEMBL3760685

SCHEMBL3760685

C=CCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 3/20 0.78
HTR2C P28335 8/20 0.71
BCDIN3D Q7Z5W3 6/20 0.67
HTR2A P28223 1/20 0.60
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.55

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
SCHEMBL13943320 0.91 SHMT2 (0.78) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL13942965 0.90 SHMT2 (0.77) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL13944360 0.88 SHMT2 (1.00) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL3756412 0.87 HTR2C (0.75) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL12982853 0.84 SHMT2 (0.78) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL3755109 0.83 HTR2C (1.00) HTR2CBCDIN3DHTR2AMAPTTP53
SCHEMBL13944190 0.83 HTR2C (1.00) SHMT2HTR2CBCDIN3DMAPTKDM4E
SCHEMBL13944750 0.82 SHMT2 (0.72) SHMT2HTR2CBCDIN3DMAPTTP53
SCHEMBL13942978 0.82 HTR2C (1.00) SHMT2HTR2CBCDIN3DHTR2AMAPT
SCHEMBL3753369 0.82 SYK (0.71) SHMT2HTR2CBCDIN3DMAPTMEN1

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 SHMT2 1598/4885HTR2C 1/4885BCDIN3D 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.