SCHEMBL20640299

SCHEMBL20640299

O=C(O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
F2 P00734 3/20 0.49
F10 P00742 3/20 0.49
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD11B1 P28845 2/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL28396378 0.85 SIRT1 (0.49) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL20640292 0.82 GABRA5 (0.51) MAPTSMN1; SMN2LMNAALDH1A1GFER
SCHEMBL20640314 0.81 F2 (0.47) SMN1; SMN2LMNAALDH1A1F2F10
SCHEMBL1271298 0.77 KDM4E (0.61) MAPTHTTSMN1; SMN2ALDH1A1F2
SCHEMBL20640332 0.77 F2 (0.59) LMNAALDH1A1F2F10HSD11B1
SCHEMBL8350678 0.77 MMP2 (0.65) HTTLMNAALDH1A1GFERATM
SCHEMBL1271070 0.77 F2 (0.67) MAPTSMN1; SMN2LMNAALDH1A1F2
SCHEMBL1270209 0.77 F2 (0.68) MAPTSMN1; SMN2LMNAALDH1A1F2
SCHEMBL13368322 0.76 F10 (0.73) LMNAALDH1A1F2F10HSD11B1
SCHEMBL19814038 0.75 F2 (0.56) MAPTALDH1A1F2F10

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 MAPT 607/4885HTT 2844/4885SMN1; SMN2 2117/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK MAPT 625/4885HTT 3109/4885SMN1; SMN2 1667/4885

“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.