SCHEMBL20640293

SCHEMBL20640293

Nc1nc(CC(=O)N2CCN(C3CCCCC3)CC2)cs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
F2 P00734 2/20 0.48
F10 P00742 2/20 0.48
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 5/20 0.42
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL19820647 0.90 HSD17B10 (0.47) KDM4EALDH1A1F2F10GABRA5
Hydrochloric Acid SCHEMBL19814023 0.89 HSD17B10 (0.46) KDM4EALDH1A1F2F10GABRA5
Hydrochloric Acid SCHEMBL20640317 0.89 HSD17B10 (0.46) KDM4EALDH1A1F2F10GABRA5
SCHEMBL3538064 0.88 F10 (0.61) KDM4EALDH1A1F2F10GABRA5
Bromide SCHEMBL3539685 0.87 F10 (0.60) KDM4EALDH1A1F2F10GABRA5
SCHEMBL3545335 0.86 F2 (0.56) KDM4EALDH1A1F2F10GABRA5
SCHEMBL3620336 0.84 GABRA5 (0.57) F2F10GABRA5GABRB2HSD17B10
SCHEMBL20648977 0.83 F2 (0.46) KDM4EALDH1A1F2F10GABRA5
SCHEMBL20640332 0.81 F2 (0.59) KDM4EALDH1A1F2F10KMT2A
SCHEMBL21875724 0.81 F2 (0.43) KDM4EALDH1A1F2F10GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN disclosed
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 KDM4E 924/4885ALDH1A1 2929/4885F2 4175/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK KDM4E 876/4885ALDH1A1 2234/4885F2 3893/4885

“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.