SCHEMBL20196478

SCHEMBL20196478

CSc1cnc(Cl)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNA7 P36544 4/20 0.39
LIPE Q05469 2/20 0.39
SCN10A Q9Y5Y9 5/20 0.39
SCN5A Q14524 2/20 0.39
SCN1A P35498 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CTSC P53634 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL25552149 0.78 KDM4E (0.48) KDM4EALDH1A1GAAMAPT
SCHEMBL30037682 0.78 KDM4E (0.48) KDM4EALDH1A1GAAMAPT
SCHEMBL1230049 0.73 SCN5A (0.48) CHRNA7SCN10ASCN5ASCN1AKCNH2
SCHEMBL30530318 0.72 GSK3A (0.47) CTSC
SCHEMBL20188245 0.72 GSK3A (0.47) CTSC
SCHEMBL19981433 0.72 ATP1A1 (0.42) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL20190247 0.70 CACNA2D1 (0.42) CHRNA7SCN10ASCN5ASCN1AKCNH2
SCHEMBL30448770 0.70 CACNA2D1 (0.42) CHRNA7SCN10ASCN5ASCN1AKCNH2
SCHEMBL25254089 0.69 KDM4E (0.60) KDM4EALDH1A1MAPTCHRNA7SCN9A
SCHEMBL12813324 0.69 KCNH2 (0.45) SCN10AKCNH2CTSCNPY5R

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-110139692-B Heteroaryl amine compounds for modulating hedgehog pathway and methods of making and using the same 财团法人生物技术开发中心 2023-08-25 CN disclosed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 US disclosed
EP-3544685-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF Development Center for Biotechnology (TW) 2019-10-02 EP disclosed
WO-2018098250-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2018-05-31 WO disclosed
WO-2018098250-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2018-05-31 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-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF SHH, GLI1, SMO KDM4E 1460/4885NPC1 238/4885ALDH1A1 1315/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 KDM4E 1585/4885NPC1 472/4885ALDH1A1 1617/4885

“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.