SCHEMBL20188790

SCHEMBL20188790

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.51
KCNH2 Q12809 1/20 0.51
RAB9A P51151 2/20 0.49
BCR P11274 2/20 0.47
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MAPK14 Q16539 1/20 0.45
SMO Q99835 1/20 0.45
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21799087 0.93 ABL1 (0.47) ABL1BCRMAPK14LMNA
SCHEMBL30114739 0.93 ABL1 (0.47) ABL1BCRMAPK14LMNA
SCHEMBL30530293 0.90 RAB9A (0.53) ABL1RAB9ABCRMAPK14SMO
SCHEMBL21799076 0.90 RAB9A (0.53) ABL1RAB9ABCRMAPK14SMO
SCHEMBL20187750 0.87 ABL1 (0.51) ABL1KCNH2RAB9A
SCHEMBL30114712 0.87 ABL1 (0.51) ABL1KCNH2RAB9A
SCHEMBL20188568 0.87 ABL1 (0.50) ABL1KCNH2RAB9ABCRCACNA1B
SCHEMBL20190498 0.85 ABL1 (0.43) ABL1LMNAMAPK1SMN1; SMN2
SCHEMBL30530306 0.85 ABL1 (0.43) ABL1LMNAMAPK1SMN1; SMN2
SCHEMBL20188328 0.84 ABL1 (0.42) ABL1

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 10 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
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

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.