SCHEMBL10279750

SCHEMBL10279750

Clc1nc2nc(C3CC3)nn2c(Cl)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.42
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
PDE4A P27815 1/20 0.34
PDE10A Q9Y233 2/20 0.33
P2RX3 P56373 3/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
GRM5 P41594 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3713355 0.86 HTR2A (0.33) PDE4DAKT1AKT2
SCHEMBL361527 0.78 MAPT (0.38) POLBAKT1AKT2TP53
SCHEMBL2969079 0.77 KDM4E (0.49) TP53
SCHEMBL5439370 0.75 PDE10A (0.31) PDE10A
SCHEMBL5447564 0.74 MEN1 (0.30)
SCHEMBL14430549 0.74 TRPV1 (0.36)
SCHEMBL2964035 0.73 ALDH1A1 (0.43) FABP4FABP5PDE10APOLBTP53
SCHEMBL2964668 0.73 PTGS1 (0.36) FABP4FABP5POLBTP53
SCHEMBL5447381 0.72 IDH1 (0.35)
SCHEMBL5452647 0.70 PDE4D (0.44) PDE4DPDE4AGRM5ACHE

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-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD PDE4D 1655/4885FABP4 4469/4885FABP5 4301/4885

“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.