SCHEMBL3016547

SCHEMBL3016547

CC(C)N1CCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)C6CCCC6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 12/20 0.41
ACVR1 Q04771 1/20 0.39
ADRB2 P07550 1/20 0.38
VCP P55072 1/20 0.38
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE4B Q07343 2/20 0.37
HDAC1 Q13547 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
SCHEMBL870990 0.97 ACKR3 (0.41) ACKR3ACVR1ADRB2VCPPOLB
SCHEMBL871947 0.92 ACVR1 (0.40) ACKR3ACVR1VCPPDE4BHDAC1
SCHEMBL3029088 0.92 ACVR1 (0.40) ACVR1ADRB2VCPPDE4BHDAC1
SCHEMBL3029083 0.92 ACVR1 (0.40) ACVR1ADRB2VCPPDE4BHDAC1
SCHEMBL871946 0.92 ACVR1 (0.40) ACKR3ACVR1VCPPDE4BHDAC1
SCHEMBL871755 0.92 ACVR1 (0.40) ACKR3ACVR1VCPMAPK8MAPK9
SCHEMBL871756 0.92 ACVR1 (0.40) ACKR3ACVR1VCPMAPK8MAPK9
SCHEMBL870179 0.90 AVPR1B (0.41) ACVR1ADRB2VCPPDE4B
SCHEMBL870180 0.90 AVPR1B (0.41) ACVR1ADRB2VCPPDE4B
SCHEMBL10271668 0.89 PARP1 (0.39) ACVR1VCPPDE4BHDAC1

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 8 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

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 ACKR3 684/4885ACVR1 1110/4885ADRB2 105/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ACKR3 684/4885ACVR1 1110/4885ADRB2 105/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ACKR3 1691/4885ACVR1 551/4885ADRB2 417/4885

“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.