SCHEMBL21799080

SCHEMBL21799080

COc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(SC)c(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.53
RAB9A P51151 3/20 0.49
ACKR3 P25106 1/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45

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
SCHEMBL30114775 1.00 WNT3A (0.53) WNT3ARAB9AACKR3JAK2JAK3
SCHEMBL20188209 0.92 RAB9A (0.51) WNT3ARAB9AJAK2JAK3NPC1
SCHEMBL30114859 0.92 RAB9A (0.51) WNT3ARAB9AJAK2JAK3NPC1
SCHEMBL30530277 0.91 RAB9A (0.51) RAB9AACKR3JAK2JAK3NPC1
SCHEMBL21799072 0.91 RAB9A (0.51) RAB9AACKR3JAK2JAK3NPC1
SCHEMBL20188564 0.87 RAB9A (0.51) RAB9AACKR3NPC1LMNATP53
SCHEMBL30530291 0.87 RAB9A (0.51) RAB9AACKR3NPC1LMNATP53
SCHEMBL21799089 0.87 JAK2 (0.55) WNT3ARAB9AACKR3JAK2JAK3
SCHEMBL30530310 0.87 JAK2 (0.55) WNT3ARAB9AACKR3JAK2JAK3
SCHEMBL21799079 0.85 ABL1 (0.51) RAB9AABL1

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 7 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-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 WNT3A 149/4885RAB9A 388/4885ACKR3 812/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 WNT3A 136/4885RAB9A 256/4885ACKR3 456/4885

“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.