SCHEMBL20188432

SCHEMBL20188432

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2F)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 1/20 0.43
WDR5 P61964 3/20 0.42
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
SCN9A Q15858 1/20 0.41
LCK P06239 2/20 0.40
KDR P35968 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
SCHEMBL30530275 1.00 ABL1 (0.47) ABL1KCNH2RAB9AWDR5MAPK14
SCHEMBL21799136 0.95 ABL1 (0.48) ABL1KCNH2RAB9AWDR5SCN9A
SCHEMBL30530284 0.95 ABL1 (0.48) ABL1KCNH2RAB9AWDR5SCN9A
SCHEMBL21799047 0.93 ABL1 (0.46) ABL1KCNH2RAB9AWDR5KDR
SCHEMBL30530288 0.93 ABL1 (0.46) ABL1KCNH2RAB9AWDR5KDR
SCHEMBL20187750 0.92 ABL1 (0.51) ABL1KCNH2RAB9A
SCHEMBL30114712 0.92 ABL1 (0.51) ABL1KCNH2RAB9A
SCHEMBL21799082 0.92 RAB9A (0.47) RAB9AWDR5
SCHEMBL30114860 0.92 RAB9A (0.47) RAB9AWDR5
SCHEMBL21799078 0.90 ABL1 (0.46) ABL1KCNH2RAB9AMAPK14SMO

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
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

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 ABL1 1218/4885KCNH2 2640/4885RAB9A 388/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 ABL1 1395/4885KCNH2 1702/4885RAB9A 256/4885

“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.