SCHEMBL872226

SCHEMBL872226

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCC(N6CCCCC6)CC5)cc4)c3)c2=O)CC1)c1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.48
ACVR1 Q04771 1/20 0.41
PRKAA2 P54646 4/20 0.39
TRPV4 Q9HBA0 1/20 0.37
ACKR3 P25106 1/20 0.36
AVPR1B P47901 1/20 0.36
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL871460 0.90 PDE4B (0.51) PDE4BACVR1PRKAA2ACKR3CYP3A4
SCHEMBL870373 0.90 PDE4B (0.44) PDE4BACVR1PRKAA2TRPV4AVPR1B
SCHEMBL871660 0.90 PDE4B (0.40) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL870707 0.90 PDE4B (0.41) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL871661 0.90 PDE4B (0.40) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL870708 0.90 PDE4B (0.41) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL870227 0.90 PDE4B (0.51) PDE4BACVR1PRKAA2ACKR3
SCHEMBL3023140 0.89 PDE4B (0.47) PDE4BACVR1PRKAA2ACKR3AVPR1B
SCHEMBL872131 0.88 PDE4B (0.50) PDE4BACVR1PRKAA2ACKR3CYP3A4
SCHEMBL873085 0.88 PDE4B (0.52) PDE4BACVR1PRKAA2CYP3A4

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 PDE4B 2/4885ACVR1 1110/4885PRKAA2 1754/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ACVR1 1110/4885PRKAA2 1754/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ACVR1 551/4885PRKAA2 1416/4885

“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.