SCHEMBL18377889

SCHEMBL18377889

Cc1cn(-c2ccccc2C(F)(F)F)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.52
▸ TRPV1 Q8NER1 2/20 0.51
▸ BRD4 O60885 1/20 0.48
▸ APP P05067 1/20 0.47
▸ AMY1A P0DUB6 1/20 0.44
▸ HSD11B1 P28845 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18367585 0.81 TRPV1 (0.49) TRPV1APPAMY1AHSD11B1ALDH1A1
SCHEMBL22702132 0.80 TRPV1 (0.48) NOTUMTRPV1APPAMY1AHSD11B1
SCHEMBL19732301 0.80 TRPV1 (0.61) NOTUMTRPV1APPAMY1AALDH1A1
SCHEMBL31284267 0.78 NOTUM (0.48) NOTUMTRPV1BRD4APPHSD11B1
SCHEMBL30946437 0.78 NOTUM (0.48) NOTUMTRPV1BRD4APPALDH1A1
SCHEMBL2688702 0.77 NOTUM (0.58) NOTUMBRD4KCNN4FLT3GSK3B
SCHEMBL31284304 0.74 NOTUM (0.42) NOTUMTRPV1BRD4APPRBP4
SCHEMBL21849198 0.74 TRPV1 (0.43) NOTUMTRPV1APPAMY1AHSD11B1
SCHEMBL19120547 0.74 BRD4 (0.51) NOTUMBRD4ALDH1A1CYP1A2CYP2D6
SCHEMBL11683570 0.74 BRD4 (0.51) NOTUMBRD4ALDH1A1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 — — EP disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 — — 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 (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-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885TRPV1 4828/4885BRD4 461/4885

“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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