SCHEMBL13234475

SCHEMBL13234475

O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 18/20 0.92
KCNJ3 P48549 18/20 0.92
KCNJ5 P48544 12/20 0.92
PTPN1 P18031 1/20 0.67
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL13234482 0.92 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL4936063 0.86 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5
SCHEMBL13234480 0.83 KCNJ6 (0.76) KCNJ6KCNJ3KCNJ5
SCHEMBL4937639 0.83 KCNJ6 (0.80) KCNJ6KCNJ3KCNJ5
SCHEMBL13234630 0.82 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5
SCHEMBL13234637 0.82 CYP3A4 (0.74) KCNJ6KCNJ3KCNJ5CYP3A4GAA
SCHEMBL4513114 0.81 KCNJ6 (0.72) KCNJ6KCNJ3KCNJ5
SCHEMBL13234479 0.81 KCNJ6 (0.83) KCNJ6KCNJ3KCNJ5PTPN1GAA
SCHEMBL13234484 0.80 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5
SCHEMBL23203519 0.79 KCNJ6 (0.65) KCNJ6KCNJ3KCNJ5

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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR KCNJ6 3568/4885KCNJ3 3223/4885KCNJ5 3321/4885

“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.