SCHEMBL17942001

SCHEMBL17942001

NCC1CC1c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
HTR2C P28335 14/20 0.40
HTR2B P41595 13/20 0.40
HTR2A P28223 8/20 0.40
MAOB P27338 2/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL17942003 1.00 HRH3 (0.46) HRH3HRH4HTR2CHTR2BHTR2A
SCHEMBL17942047 0.81 ADRA1A (0.40) HTR2BADRA1A
SCHEMBL17942046 0.81 ADRA1A (0.40) HTR2BADRA1A
SCHEMBL17950209 0.77 ADRA1A (0.39) ADRA1A
SCHEMBL21573830 0.77 NAMPT (0.38) ADRA1A
SCHEMBL17942056 0.73 NAMPT (0.44) HTR2BADRA1A
SCHEMBL19764579 0.69 NAMPT (0.43)
SCHEMBL3394059 0.69 ADRA1A (0.59) HTR2BADRA1A
SCHEMBL19764580 0.68 ADRA1A (0.41) HTR2BADRA1A
SCHEMBL17950210 0.67 ADRA1A (0.52) HTR2BADRA1A

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
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 US disclosed
EP-3247705-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-11-29 EP disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 WO disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT HRH3 41/4885HRH4 48/4885HTR2C 3198/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HRH3 41/4885HRH4 48/4885HTR2C 3198/4885

“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.