SCHEMBL12461791

SCHEMBL12461791

COc1cc(-c2cnn(C)c2)cn2ncc(-c3cccnc3)c12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
DYRK1A Q13627 1/20 0.49
RET P07949 14/20 0.45
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GAK O14976 1/20 0.42
ACVR2A P27037 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL1901971 0.95 KDR (0.49) KDRDYRK1ARETGAKACVR2A
SCHEMBL12461270 0.88 KDR (0.53) KDRCYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL12461844 0.88 DYRK1A (0.45) KDRDYRK1ARETGAKACVR2A
SCHEMBL12461830 0.87 ERN1 (0.47) RETGAKACVR2AERN1
SCHEMBL12461307 0.85 ERN1 (0.48) RETGAKACVR2AERN1
SCHEMBL1903502 0.85 KDR (0.50) KDRRETGAKACVR2A
SCHEMBL12461662 0.84 RET (0.39) KDRDYRK1ARETACVR2A
SCHEMBL12461799 0.82 RET (0.48) KDRRETGAK
SCHEMBL12461272 0.82 RET (0.49) RETGAK
SCHEMBL12461614 0.82 RET (0.56) RETACVR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDR 1534/4885DYRK1A 281/4885RET 79/4885

“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.