SCHEMBL871025

SCHEMBL871025

CN1CCCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](N)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 10/20 0.41
TNKS O95271 2/20 0.39
PDE1B Q01064 1/20 0.37
AXL P30530 3/20 0.36
FLT3 P36888 3/20 0.36
TYRO3 Q06418 3/20 0.36
MERTK Q12866 3/20 0.36
CA2 P00918 1/20 0.36
NCF1 P14598 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
TNIK Q9UKE5 3/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 1/20 0.36
MELK Q14680 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
SLK Q9H2G2 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL872430 1.00 CHKA (0.41) CHKATNKSPDE1BAXLFLT3
SCHEMBL872803 0.91 CHKA (0.35) CHKATNKSAXLFLT3TYRO3
SCHEMBL870966 0.90 METAP2 (0.37)
SCHEMBL870965 0.90 METAP2 (0.37)
SCHEMBL8181685 0.90 METAP2 (0.37)
SCHEMBL870887 0.89 VCP (0.37) TNKS
SCHEMBL870886 0.89 VCP (0.37) TNKS
SCHEMBL3030807 0.89 AVPR1B (0.41) CHKAAXLFLT3TYRO3MERTK
SCHEMBL3030814 0.89 AVPR1B (0.41) CHKAAXLFLT3TYRO3MERTK
SCHEMBL870188 0.88 PDE4B (0.41) TNKSPDE1BFLT3

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 12 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-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
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 CHKA 619/4885TNKS 1921/4885PDE1B 38/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CHKA 619/4885TNKS 1921/4885PDE1B 38/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A CHKA 1328/4885TNKS 1011/4885PDE1B 25/4885

“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.