SCHEMBL872762

SCHEMBL872762

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(Cc4ccccc4)c3)c2=O)CC1)c1cn2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 5/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR55 Q9Y2T6 2/20 0.37
CNR2 P34972 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL872761 1.00 TNKS (0.43) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL870644 0.92 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL870643 0.92 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL871132 0.90 NPC1 (0.49) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL871133 0.90 NPC1 (0.49) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4224554 0.88 NPC1 (0.46) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4224541 0.88 NPC1 (0.46) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4879367 0.88 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4879361 0.88 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL871515 0.88 RAB9A (0.54) TNKSNPC1RAB9AKDM4ESMN1; SMN2

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-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNKS 1921/4885NPC1 2462/4885RAB9A 1736/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNKS 1921/4885NPC1 2462/4885RAB9A 1736/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A TNKS 1011/4885NPC1 3510/4885RAB9A 1730/4885

“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.