SCHEMBL20640322

SCHEMBL20640322

Nc1nc(COC2CCN(C3CCCCC3)CC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRA5 P31644 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20640319 1.00 LMNA (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL21875693 0.89 LMNA (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL21875692 0.89 LMNA (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20640300 0.86 LMNA (0.37) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20640338 0.85 LMNA (0.36) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20640320 0.85 LMNA (0.39) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20640307 0.82 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20640325 0.82 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24937441 0.82 MAPT (0.50) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21875679 0.79 LMNA (0.42) LMNAMAPTSMN1; SMN2NPC1RAB9A

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 9 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
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 — — CN 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 LMNA 4007/4885MAPT 607/4885SMN1; SMN2 2117/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK LMNA 3887/4885MAPT 625/4885SMN1; 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.

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