SCHEMBL870073

SCHEMBL870073

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3ccc4c(cnn4Cc4ccccc4)c3)c2=O)CC1)c1cn2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4B Q07343 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR55 Q9Y2T6 2/20 0.34
BRD4 O60885 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.33

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
SCHEMBL870074 1.00 TNKS (0.40) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL871483 0.94 PDE4B (0.42) TNKSKDM4ESMN1; SMN2HSD17B10PDE4B
SCHEMBL871484 0.94 PDE4B (0.42) TNKSKDM4ESMN1; SMN2HSD17B10PDE4B
SCHEMBL872761 0.87 TNKS (0.43) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL872762 0.87 TNKS (0.43) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4879361 0.86 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4879367 0.86 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL870643 0.85 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL870644 0.85 NPC1 (0.44) TNKSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL871133 0.84 NPC1 (0.49) 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 9 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-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
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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.