SCHEMBL17184358

SCHEMBL17184358

COC(=O)c1ccc2nc(CN3CCOCC3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.61
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CDK7 P50613 1/20 0.43

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
SCHEMBL17184380 0.88 NAMPT (0.62) NAMPTMAPTALDH1A1SMN1; SMN2CD274
SCHEMBL17184394 0.80 MAPT (0.61) NAMPTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL28128764 0.79 SLC2A1 (0.54) NAMPTALDH1A1SMN1; SMN2
SCHEMBL28129294 0.77 NAMPT (0.49) NAMPTALDH1A1LMNA
SCHEMBL12100260 0.77 MTOR (0.50) NAMPTMAPT
SCHEMBL12076644 0.77 MTOR (0.50) NAMPTMAPT
SCHEMBL17184460 0.76 NAMPT (1.00) NAMPT
SCHEMBL12100243 0.76 MAPT (0.44) NAMPTMAPTLMNASMN1; SMN2
SCHEMBL12099824 0.76 NAMPT (0.58) NAMPTMAPT
SCHEMBL12100636 0.76 NAMPT (0.56) NAMPTMAPT

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-10144742-B2 Quinoxaline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-12-04 — — US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 — — US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 — — US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 — — US disclosed
EP-3131881-A1 QUINOXALINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-02-22 — — EP disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 — — 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-10144742-B2 Quinoxaline compounds and uses thereof NAMPT, NQO2, NNMT NAMPT 1/4885MAPT 2452/4885ALDH1A1 1374/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT NAMPT 1/4885MAPT 2452/4885ALDH1A1 1374/4885

“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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