SCHEMBL21875679

SCHEMBL21875679

CC1(OCc2csc(N)n2)CCN(C2CCCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PARP1 P09874 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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 0.79 LMNA (0.41) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20640322 0.79 LMNA (0.41) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20640320 0.75 LMNA (0.39) LMNASMN1; SMN2RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL21875692 0.73 LMNA (0.41) LMNASMN1; SMN2RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL21875693 0.73 LMNA (0.41) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20640300 0.71 LMNA (0.37) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20640338 0.71 LMNA (0.36) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20640293 0.70 KDM4E (0.51) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL21875723 0.69 F2 (0.45) LMNASMN1; SMN2MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20640326 0.69 SMN1; SMN2 (0.56) LMNASMN1; SMN2MAPTALDH1A1TSHR

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
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-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

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 4007/4885SMN1; SMN2 2117/4885RAB9A 1097/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK LMNA 3887/4885SMN1; SMN2 1667/4885RAB9A 998/4885

“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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