SCHEMBL4582804

SCHEMBL4582804

COc1ccc(Cc2cnc(C#N)c(NC3CCOC3)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.41
PDE1B Q01064 8/20 0.40
PDE1C Q14123 6/20 0.40
PDE1A P54750 4/20 0.40
CA2 P00918 1/20 0.39
FYN P06241 1/20 0.38
NSD2 O96028 1/20 0.38
PDE5A O76074 1/20 0.37
GAK O14976 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CSF1R P07333 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL4580646 0.83 CTSD (0.42) PDE1BPDE1CPDE1ACA2FYN
SCHEMBL4581296 0.71 TBK1 (0.42) CHEK1FYNNSD2PDE5AALDH1A1
SCHEMBL5545737 0.70 CHEK1 (0.42) CHEK1PDE1BPDE1CPDE1A
SCHEMBL7387274 0.70 APEX1 (0.43) PDE5AALDH1A1LMNATSHRMAPK1
SCHEMBL7387267 0.70 APEX1 (0.43) PDE5AALDH1A1LMNATSHRMAPK1
SCHEMBL21297274 0.65 PDE4D (0.43) FYNNSD2GAKALDH1A1LMNA
SCHEMBL1394739 0.65 MAPK1 (0.40) CHEK1NSD2MAPK1
SCHEMBL7149759 0.64 PDE4D (0.54) CHEK1
SCHEMBL4582130 0.63 TUBB4A (0.42) FYNALDH1A1LMNACSF1R
SCHEMBL29849308 0.62 PDE1B (0.45) PDE1BPDE1CPDE1ANSD2GAK

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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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 (1 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 CHEK1 1791/4885PDE1B 4365/4885PDE1C 4552/4885

“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.