SCHEMBL20640306

SCHEMBL20640306

O=C1CCC(OCc2csc(NC(=O)O)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL20649324 0.84 SIRT1 (0.46) LMNANPC1RAB9AHTTKMT2A
SCHEMBL20640343 0.80 NPC1 (0.43) LMNANPC1RAB9AHTTKMT2A
SCHEMBL21875682 0.78 ALDH1A1 (0.41) LMNANPC1RAB9AHTTKMT2A
SCHEMBL21875681 0.78 ALDH1A1 (0.41) LMNANPC1RAB9AHTTKMT2A
SCHEMBL24937440 0.74 SIRT1 (0.49) LMNANPC1RAB9AHTTKMT2A
SCHEMBL1742457 0.74 SMN1; SMN2 (0.55) LMNANPC1RAB9AHTTKMT2A
SCHEMBL20640314 0.71 F2 (0.47) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4959287 0.70 MAPK1 (0.56) LMNANPC1RAB9AHTTKMT2A
SCHEMBL465934 0.70 SMN1; SMN2 (0.51) LMNANPC1RAB9AHTTKMT2A
SCHEMBL353851 0.69 SMN1; SMN2 (0.73) LMNANPC1RAB9AKMT2AMEN1

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
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 LMNA 4007/4885NPC1 489/4885RAB9A 1097/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK LMNA 3887/4885NPC1 371/4885RAB9A 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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