SCHEMBL870966

SCHEMBL870966

NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C6CCCC6)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
PDE4B Q07343 1/20 0.34
CDK1 P06493 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TNF P01375 1/20 0.34
LITAF Q99732 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8181685 1.00 METAP2 (0.37) METAP2TSHRNPSR1CRHBPCRHR2
SCHEMBL870965 1.00 METAP2 (0.37) METAP2TSHRNPSR1CRHBPCRHR2
SCHEMBL871727 0.94 PDE4B (0.39) METAP2TSHRNPSR1CRHBPCRHR2
SCHEMBL872430 0.90 CHKA (0.41)
SCHEMBL871025 0.90 CHKA (0.41)
SCHEMBL870887 0.90 VCP (0.37) TSHRNPSR1CRHBPCRHR2SMN1; SMN2
SCHEMBL870886 0.90 VCP (0.37) TSHRNPSR1CRHBPCRHR2SMN1; SMN2
SCHEMBL870187 0.89 PDE4B (0.41) TSHRNPSR1CRHBPCRHR2SMN1; SMN2
SCHEMBL870188 0.89 PDE4B (0.41) TSHRNPSR1CRHBPCRHR2SMN1; SMN2
SCHEMBL3029957 0.89 PDE4B (0.43) ALDH1A1MEN1KMT2ADRD2DRD4

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 4 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-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

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 METAP2 3123/4885TSHR 3235/4885NPSR1 1196/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B METAP2 3123/4885TSHR 3235/4885NPSR1 1196/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A METAP2 2738/4885TSHR 3701/4885NPSR1 2352/4885

“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.