SCHEMBL4240283

SCHEMBL4240283

Cc1ccccc1CC(C)(C)Nc1nc(Cl)nc2c1CN(C(C)C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.50
CYP2C9 P11712 4/20 0.50
TACR2 P21452 1/20 0.40
IDH1 O75874 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
SCHEMBL3635360 0.88 P2RX3 (0.48) P2RX3CYP2C9TACR2
SCHEMBL4240096 0.84 P2RX3 (0.60) P2RX3CYP2C9TACR2
SCHEMBL4231172 0.83 P2RX3 (0.69) P2RX3CYP2C9TACR2
SCHEMBL4225050 0.83 P2RX3 (0.53) P2RX3CYP2C9TACR2
SCHEMBL4230424 0.81 P2RX3 (0.59) P2RX3CYP2C9TACR2
SCHEMBL3668159 0.81 P2RX3 (0.73) P2RX3CYP2C9
SCHEMBL3635398 0.80 P2RX3 (0.58) P2RX3CYP2C9TACR2IDH1
SCHEMBL3638828 0.78 P2RX3 (0.56) P2RX3CYP2C9TACR2
SCHEMBL3641898 0.77 P2RX3 (0.41) P2RX3CYP2C9TACR2
SCHEMBL3639384 0.75 P2RX3 (0.54) P2RX3CYP2C9TACR2IDH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 P2RX3 53/4885CYP2C9 172/4885TACR2 158/4885

“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.