SCHEMBL10153829

SCHEMBL10153829

CNCc1ccccc1-n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.42
F2 P00734 11/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
F10 P00742 3/20 0.39
TPH1 P17752 1/20 0.38
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL24352213 0.84 ALDH1A1 (0.43) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL24352675 0.83 F2 (0.42) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL13078833 0.83 ALDH1A1 (0.45) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL24352537 0.81 F2 (0.39) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL14452034 0.79 F2 (0.50) F2
SCHEMBL18585073 0.78 TPH1 (0.40) PDE9AF2ALDH1A1POLBF10
SCHEMBL4611825 0.78 LMNA (0.43) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL30332313 0.78 LMNA (0.43) PDE9AF2CYP3A4CYP2C9ALDH1A1
SCHEMBL30640530 0.78 TPH1 (0.40) PDE9AF2ALDH1A1POLBF10
SCHEMBL24352536 0.78 OPRM1 (0.38) PDE9AF2CYP3A4CYP2C9ALDH1A1

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PDE9A 3252/4885F2 2851/4885CYP3A4 2583/4885

“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.