SCHEMBL870760

SCHEMBL870760

O=C(N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Nc2ccc3c(cnn3Cc3ccccc3)c2)CC1)c1cn2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EGFR P00533 15/20 0.45
ERBB2 P04626 15/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4B Q07343 1/20 0.41

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
SCHEMBL870761 1.00 NPC1 (0.45) NPC1RAB9AEGFRERBB2KDM4E
SCHEMBL871833 0.93 PDE4B (0.48) EGFRERBB2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871834 0.93 PDE4B (0.48) EGFRERBB2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871374 0.85 NPC1 (0.51) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL871373 0.85 NPC1 (0.51) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL870421 0.82 RAB9A (0.54) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL870420 0.82 RAB9A (0.54) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL8179705 0.82 RAB9A (0.62) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL869488 0.79 PDE4B (0.51) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL869489 0.79 PDE4B (0.51) NPC1RAB9AEGFRKDM4ESMN1; 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 11 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
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
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
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 NPC1 2462/4885RAB9A 1736/4885EGFR 4713/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B NPC1 2462/4885RAB9A 1736/4885EGFR 4713/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A NPC1 3510/4885RAB9A 1730/4885EGFR 4569/4885

“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.