SCHEMBL3756954

SCHEMBL3756954

CCN(CC)c1nc(Nc2ccc(C)c(C)c2)c2cnn(C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 1.00
HTR2A P28223 1/20 0.62
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
HCRTR1 O43613 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.50
SYK P43405 1/20 0.48
PIP4K2A P48426 1/20 0.47
BCDIN3D Q7Z5W3 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL13943684 0.90 HTR2C (0.82) HTR2CHTR2AMEN1KMT2AHCRTR1
SCHEMBL13944176 0.86 HTR2C (0.80) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL13943683 0.85 HTR2C (0.76) HTR2CHTR2AMEN1KMT2ABCDIN3D
SCHEMBL3766940 0.85 HTR2C (1.00) HTR2CHTR2ABCDIN3D
SCHEMBL3757101 0.84 HTR2C (1.00) HTR2CHTR2AMEN1KMT2ABCDIN3D
SCHEMBL13946805 0.83 HTR2C (0.73) HTR2CMEN1KMT2AHCRTR1ATM
SCHEMBL13943281 0.81 HTR2C (0.78) HTR2CHTR2AMEN1KMT2AHCRTR1
SCHEMBL3757124 0.81 HTR2C (1.00) HTR2CHTR2A
SCHEMBL13943254 0.81 MEN1 (0.82) HTR2CMEN1KMT2AHCRTR1ATM
SCHEMBL13944708 0.79 HTR2C (0.74) HTR2CHTR2AMEN1KMT2AHCRTR1

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 4/4885MEN1 4712/4885

“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.