SCHEMBL4581921

SCHEMBL4581921

Cc1ncn2c1C(=O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP11B2 P19099 10/20 0.33
NR3C1 P04150 1/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33

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
SCHEMBL947140 0.89 PDE10A (0.30)
SCHEMBL19497557 0.72
SCHEMBL19029249 0.70 PLK1 (0.36) HSD17B10KDM4ECYP11B2NR3C1PLK1
SCHEMBL18366019 0.70 ALOX5 (0.36) HSD17B10CYP11B2NR3C1
SCHEMBL18366021 0.70 BRD4 (0.38) HSD17B10CYP11B2
SCHEMBL21191004 0.69 PARP1 (0.49)
SCHEMBL22854641 0.67 HSD17B10 (0.47) HSD17B10KDM4E
SCHEMBL31332827 0.65 CYP11B2 (0.33) CYP11B2
SCHEMBL13255590 0.65 CHRM2 (0.36) PLK1CSNK2A1PLK3
SCHEMBL19028806 0.65 PDPK1 (0.47) HSD17B10PLK1CSNK2A1PLK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 HSD17B10 3567/4885KDM4E 1597/4885CYP11B2 572/4885

“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.