SCHEMBL20640313

SCHEMBL20640313

O=C(O)Nc1nc(CC(=O)N2CCC(N3CCC(F)(F)CC3)CC2)cs1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.53
F10 P00742 4/20 0.53
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 3/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CPS1 P31327 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
SCHEMBL19814038 0.87 F2 (0.56) F2F10ALDH1A1TDP1
SCHEMBL28396135 0.86 F2 (0.50) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL20640311 0.85 F2 (0.57) F2F10ALDH1A1TDP1HSD11B1
SCHEMBL13368322 0.83 F10 (0.73) F2F10ALDH1A1TDP1HSD11B1
SCHEMBL21875725 0.83 F2 (0.51) F2F10ALDH1A1TDP1HSD11B1
SCHEMBL20640332 0.83 F2 (0.59) F2F10ALDH1A1TDP1HSD11B1
SCHEMBL21875724 0.83 F2 (0.43) F2F10ALDH1A1
SCHEMBL21875661 0.80 F2 (0.51) F2F10ALDH1A1TDP1
SCHEMBL20640314 0.76 F2 (0.47) F2F10ALDH1A1HSD11B1HSD17B1
SCHEMBL20640302 0.75 F2 (0.55) F2F10ALDH1A1TDP1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US disclosed
EP-3652177-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2020-05-20 EP disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 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-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS CHKA, CHKB, NADK F2 4175/4885F10 4714/4885ALDH1A1 2929/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK F2 3893/4885F10 4644/4885ALDH1A1 2234/4885

“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.