SCHEMBL17305877

SCHEMBL17305877

O=C(Nc1cccc(-c2nccn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.80

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
SCHEMBL29473528 0.89 MAP3K5 (1.00) MAP3K5
SCHEMBL945832 0.89 MAP3K5 (1.00) MAP3K5
SCHEMBL946125 0.87 MAP3K5 (0.69) MAP3K5
SCHEMBL946755 0.82 MAP3K5 (0.78) MAP3K5
SCHEMBL943924 0.82 MAP3K5 (0.78) MAP3K5
SCHEMBL30444353 0.81 MAP3K5 (1.00) MAP3K5
SCHEMBL21706164 0.81 MAP3K5 (1.00) MAP3K5
SCHEMBL12946065 0.81 MAP3K5 (0.77) MAP3K5
SCHEMBL945441 0.81 MAP3K5 (1.00) MAP3K5
SCHEMBL945176 0.80 MAP3K5 (0.76) MAP3K5

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-20180133203-A1 METHODS OF TREATING LIVER DISEASE GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-20170273952-A1 METHODS OF TREATING LIVER DISEASE GILEAD SCIENCES, INC. 2017-09-28 US disclosed
US-20160166556-A1 METHODS OF TREATING PULMONARY HYPERTENSION GILEAD SCIENCES, INC. 2016-06-16 US disclosed
US-20150342943-A1 METHODS OF TREATING LIVER DISEASE GILEAD SCIENCES, INC. 2015-12-03 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 (4 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-20170273952-A1 METHODS OF TREATING LIVER DISEASE SLC10A1, FXR1, SLC10A2 MAP3K5 174/4885
US-20150342943-A1 METHODS OF TREATING LIVER DISEASE LOXL1, LOXL2, LOXL3 MAP3K5 117/4885
US-20160166556-A1 METHODS OF TREATING PULMONARY HYPERTENSION ROCK1, ROCK2, PRKCH MAP3K5 96/4885
US-20180133203-A1 METHODS OF TREATING LIVER DISEASE SLC10A1, FXR1, SLC10A2 MAP3K5 140/4885

“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.