SCHEMBL3639645

SCHEMBL3639645

CC(C)(Cc1ccc(F)cc1)Nc1nc(Cl)nc2c1CN(Cc1ccccc1Cl)C2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
P2RX3 P56373 1/20 0.40
CLPP Q16740 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 7/20 0.37
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34

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
SCHEMBL3640295 0.84 P2RX3 (0.62) CYP2C9P2RX3
SCHEMBL4230424 0.79 P2RX3 (0.59) CYP2C9P2RX3
SCHEMBL3640277 0.78 P2RX3 (0.53) CYP2C9P2RX3
SCHEMBL3638855 0.77 P2RX3 (0.51) CYP2C9P2RX3TP53
SCHEMBL3639642 0.76 ALDH1A1 (0.38) CLPPALDH1A1MEN1KMT2AP2RX7
SCHEMBL3636388 0.76 P2RX3 (0.49) CYP2C9P2RX3
SCHEMBL4230432 0.74 P2RX7 (0.42) CLPPALDH1A1MEN1KMT2AP2RX7
SCHEMBL4231172 0.71 P2RX3 (0.69) CYP2C9P2RX3
SCHEMBL4240096 0.71 P2RX3 (0.60) CYP2C9P2RX3
SCHEMBL4240283 0.69 P2RX3 (0.50) CYP2C9P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP 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
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
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 CYP2C9 172/4885P2RX3 53/4885CLPP 3832/4885

“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.