SCHEMBL3589889

SCHEMBL3589889

Nc1ccc(N)c(-c2ncc3cnn(C4Cc5cccc6cccc4c56)c3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.34
OPRM1 P35372 9/20 0.34
OPRK1 P41145 5/20 0.34
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
OPRD1 P41143 2/20 0.31

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
SCHEMBL3581065 0.82 PIK3CD (0.36)
SCHEMBL3580556 0.78 ABL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL3590707 0.78 ABL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL3592265 0.78 ABL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL1354003 0.74 OPRL1 (0.39) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL1355216 0.74 CYP19A1 (0.38) DRD2
SCHEMBL1355225 0.73 AURKA (0.41)
SCHEMBL1355964 0.72 OPRL1 (0.38) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL3589173 0.69 GSK3B (0.43)
SCHEMBL3588605 0.69 GSK3B (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B OPRL1 2638/4885OPRM1 1273/4885OPRK1 1095/4885

“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.