SCHEMBL354761

SCHEMBL354761

COc1ccc(CNc2nc(CCl)cs2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 6/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 9/20 0.44
CYP1A2 P05177 8/20 0.44
CYP3A4 P08684 8/20 0.44
CYP2D6 P10635 8/20 0.44
CYP2C19 P33261 8/20 0.44
CLK4 Q9HAZ1 4/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44

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
SCHEMBL3160157 0.85 APLNR (0.52) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL29194824 0.79 KDM4E (0.55) RAB9ANPC1ALDH1A1TDP1KDM4E
SCHEMBL2280491 0.79 KDM4C (0.48) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL352828 0.78 APLNR (0.50) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL20640324 0.77 MAOB (0.46) APLNRPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL6310452 0.75 NPC1 (0.60) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL21640422 0.75 APLNR (0.52) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL30585984 0.75 APLNR (0.52) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL23852696 0.75 APLNR (0.59) APLNRRAB9ANPC1PKMALDH1A1
SCHEMBL320510 0.74 SMN1; SMN2 (0.55) APLNRRAB9ANPC1PKMALDH1A1

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 12 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
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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (3 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 APLNR 4166/4885RAB9A 1097/4885NPC1 489/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA APLNR 3395/4885RAB9A 1714/4885NPC1 3444/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK APLNR 4273/4885RAB9A 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.