SCHEMBL20640316

SCHEMBL20640316

Nc1ccc(CN2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
L3MBTL3 Q96JM7 7/20 0.63
L3MBTL1 Q9Y468 7/20 0.63
MBTD1 Q05BQ5 3/20 0.59
HRH3 Q9Y5N1 3/20 0.53
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 1/20 0.51
TP53BP1 Q12888 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL21875676 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL4285135 0.85 LMNA (0.61) ALDH1A1L3MBTL3L3MBTL1HRH3TSHR
SCHEMBL15652459 0.84 LMNA (0.71) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL22940166 0.84 L3MBTL1 (0.63) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL13222431 0.84 L3MBTL3 (0.63) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL6212951 0.83 L3MBTL3 (0.66) ALDH1A1L3MBTL3L3MBTL1MBTD1TSHR
SCHEMBL16054572 0.83 L3MBTL3 (0.58) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL14320557 0.83 L3MBTL3 (0.67) L3MBTL3L3MBTL1MBTD1HRH3TP53BP1
SCHEMBL62541 0.82 ALDH1A1 (1.00) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL3156543 0.82 ALDH1A1 (1.00) ALDH1A1L3MBTL3L3MBTL1MBTD1HRH3

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 8 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
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
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
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 ALDH1A1 2929/4885L3MBTL3 3987/4885L3MBTL1 3844/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK ALDH1A1 2234/4885L3MBTL3 4034/4885L3MBTL1 3967/4885

“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.