SCHEMBL20649160

SCHEMBL20649160

Nc1nc(CC(=O)N2CCC(N)CC2)cs1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.53
GABRB2 P47870 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DPP4 P27487 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
EGLN1 Q9GZT9 1/20 0.38
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
SIRT1 Q96EB6 1/20 0.38
CACNA1B Q00975 2/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
HSD11B1 P28845 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
Hydrochloric Acid SCHEMBL20640363 0.99 GABRA5 (0.51) GABRA5GABRB2HSD17B10DPP4LMNA
SCHEMBL3620336 0.84 GABRA5 (0.57) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL19820647 0.83 HSD17B10 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2F2
SCHEMBL3621586 0.83 GABRA5 (0.55) GABRA5GABRB2HSD17B10DPP4LMNA
Hydrochloric Acid SCHEMBL20640317 0.82 HSD17B10 (0.46) GABRA5GABRB2HSD17B10SMN1; SMN2F2
Hydrochloric Acid SCHEMBL19814023 0.82 HSD17B10 (0.46) GABRA5GABRB2HSD17B10SMN1; SMN2F2
SCHEMBL14159379 0.82 GABRA5 (0.54) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL2111372 0.82 SMN1; SMN2 (0.58) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL20648977 0.81 F2 (0.46) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL3545335 0.81 F2 (0.56) GABRA5GABRB2HSD17B10LMNAF2

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
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
US-9309546-B2 Genetically modified cell and process for use of said cell PURAC BIOCHEM B.V. (NL) 2016-04-12 US 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 GABRA5 3984/4885GABRB2 4376/4885HSD17B10 3148/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK GABRA5 3840/4885GABRB2 3968/4885HSD17B10 2486/4885

“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.