SCHEMBL20190715

SCHEMBL20190715

COc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCN(C)CC4)ccc3F)cc2F)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
WDR5 P61964 1/20 0.42
PTK2 Q05397 4/20 0.42
AXL P30530 2/20 0.41
ABL1 P00519 2/20 0.40
KIT P10721 1/20 0.40
BCR P11274 1/20 0.40
WNT3A P56704 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
SCHEMBL30114963 0.95 ABL1 (0.45) ABL1KITBCR
SCHEMBL21799101 0.95 ABL1 (0.45) ABL1KITBCR
SCHEMBL20188193 0.86 ABL1 (0.52) AXLABL1KITBCR
SCHEMBL30530303 0.84 MLNR (0.39) ABL1KITBCR
SCHEMBL21799136 0.83 ABL1 (0.48) SCN9AWDR5ABL1WNT3A
SCHEMBL30530284 0.83 ABL1 (0.48) SCN9AWDR5ABL1WNT3A
SCHEMBL21799047 0.82 ABL1 (0.46) WDR5ABL1BCRWNT3A
SCHEMBL30530288 0.82 ABL1 (0.46) WDR5ABL1BCRWNT3A
SCHEMBL20190689 0.81 ABL1 (0.41) ABL1
SCHEMBL20188788 0.80 ABL1 (0.49) AXLABL1KITBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN9A 3728/4885WDR5 1515/4885PTK2 1634/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 SCN9A 3320/4885WDR5 1442/4885PTK2 1769/4885

“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.