SCHEMBL18367763

SCHEMBL18367763

CC(C)(C)C(=O)Nc1c(C#N)cnc2c(Cl)cc([N+](=O)[O-])cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 4/20 0.39
▸ VCAM1 P19320 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ AR P10275 2/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34

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
SCHEMBL18367762 0.83 MAP3K8 (0.41) MAP3K8EGFRCNR1CNR2HTT
SCHEMBL29350158 0.82 EGFR (0.47) EGFR
SCHEMBL18367742 0.82 EGFR (0.47) EGFR
SCHEMBL18367758 0.82 MAP3K8 (0.47) MAP3K8HTTMAPTSMN1; SMN2MEN1
SCHEMBL4962416 0.77 GPR35 (0.47) MAP3K8VCAM1GLAHTTMAPT
SCHEMBL4960627 0.77 VCAM1 (0.47) VCAM1EGFRERBB2GLAHTT
SCHEMBL29354755 0.77 VCAM1 (0.47) VCAM1EGFRERBB2GLAHTT
SCHEMBL18367769 0.75 ALDH1A1 (0.47) VCAM1GLAHTTSMN1; SMN2GAA
SCHEMBL18367755 0.74 MAP3K8 (0.48) MAP3K8EGFR
SCHEMBL18368419 0.73 EGFR (0.53) MAP3K8EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 — — US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 — — US disclosed
WO-2017007694-A1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES, INC. (US) 2017-01-12 — — WO disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 — — 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 (2 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS MAP3K8 2359/4885VCAM1 1560/4885EGFR 1147/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS MAP3K8 2359/4885VCAM1 1560/4885EGFR 1147/4885

“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.

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