SCHEMBL20640308

SCHEMBL20640308

Nc1nc(COC2CCNCC2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 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
SCHEMBL24937441 0.89 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640319 0.75 LMNA (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640322 0.75 LMNA (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL21875693 0.74 LMNA (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL21875692 0.74 LMNA (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640325 0.73 LMNA (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640307 0.73 LMNA (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640312 0.72 DRD4 (0.48) MAPTSMN1; SMN2LMNANOS1
SCHEMBL20640300 0.72 LMNA (0.37) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20640320 0.72 LMNA (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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 MAPT 607/4885RAB9A 1097/4885NPC1 489/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK MAPT 625/4885RAB9A 998/4885NPC1 371/4885

“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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