SCHEMBL939426

SCHEMBL939426

Cc1c(N2CCCC2)ccnc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CHKA P35790 2/20 0.41
▸ ROCK2 O75116 11/20 0.38
▸ ROCK1 Q13464 11/20 0.38
▸ CDC42BPB Q9Y5S2 11/20 0.38
▸ CDC42BPA Q5VT25 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTK2B Q14289 1/20 0.36

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
SCHEMBL27307049 0.83 CDK8 (0.43) PKMMAPTHTTSMN1; SMN2GAA
SCHEMBL20310271 0.79 CHKA (0.45) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL27307298 0.79 ACHE (0.41) MEN1KMT2A
SCHEMBL8601978 0.72 KEAP1 (0.46) ROCK2ROCK1CDC42BPBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8070673 0.71 CHKA (0.42) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL15918768 0.70 PKM (0.49) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL9456031 0.69 CHKA (0.43) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL31091919 0.69 — —
SCHEMBL1661104 0.69 — —
SCHEMBL6128190 0.68 GAA (0.50) HTTSMN1; SMN2GAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 — — US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 — — EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 — — EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — WO 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PKM 2537/4885ALOX15 1455/4885CASP1 399/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PKM 2537/4885ALOX15 1455/4885CASP1 399/4885

“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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