SCHEMBL20188115

SCHEMBL20188115

COc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
ABL1 P00519 1/20 0.49
KCNH2 Q12809 1/20 0.49
LCK P06239 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46

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
SCHEMBL20189011 0.94 ABL1 (0.49) JAK2JAK3ABL1KCNH2
SCHEMBL30114821 0.94 ABL1 (0.49) JAK2JAK3ABL1KCNH2
SCHEMBL20188193 0.93 ABL1 (0.52) ABL1LCK
SCHEMBL21799071 0.92 ABL1 (0.50) ABL1
SCHEMBL20187884 0.91 ABL1 (0.50) JAK2JAK3ABL1KCNH2
SCHEMBL20187973 0.91 ABL1 (0.50) JAK2JAK3ABL1KCNH2
SCHEMBL21799089 0.91 JAK2 (0.55) JAK2JAK3HIF1AEPAS1
SCHEMBL30530310 0.91 JAK2 (0.55) JAK2JAK3HIF1AEPAS1
SCHEMBL20187750 0.90 ABL1 (0.51) ABL1KCNH2
SCHEMBL30114712 0.90 ABL1 (0.51) ABL1KCNH2

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 13 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 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 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
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
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 JAK2 355/4885JAK3 511/4885ABL1 1218/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 JAK2 538/4885JAK3 580/4885ABL1 1395/4885

“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.