SCHEMBL871833

SCHEMBL871833

O=C(N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Nc2ccc3c(cnn3Cc3ccccc3)c2)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.48
EGFR P00533 13/20 0.44
ERBB2 P04626 13/20 0.44
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL871834 1.00 PDE4B (0.48) PDE4BEGFRERBB2KDM4ESMN1; SMN2
SCHEMBL870760 0.93 NPC1 (0.45) PDE4BEGFRERBB2KDM4ESMN1; SMN2
SCHEMBL870761 0.93 NPC1 (0.45) PDE4BEGFRERBB2KDM4ESMN1; SMN2
SCHEMBL869488 0.86 PDE4B (0.51) PDE4BEGFRKDM4ESMN1; SMN2HSD17B10
SCHEMBL869489 0.86 PDE4B (0.51) PDE4BEGFRKDM4ESMN1; SMN2HSD17B10
SCHEMBL870832 0.81 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL870833 0.81 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL8177936 0.80 PDE4B (0.48) PDE4BEGFRKDM4ESMN1; SMN2HSD17B10
SCHEMBL870222 0.80 PDE4B (0.50) PDE4BEGFR
SCHEMBL870221 0.80 PDE4B (0.50) PDE4BEGFR

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 10 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
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 PDE4B 2/4885EGFR 4713/4885ERBB2 4602/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885EGFR 4713/4885ERBB2 4602/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885EGFR 4569/4885ERBB2 4289/4885

“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.