SCHEMBL21799042

SCHEMBL21799042

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)nc1-c1cnn(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.51
BCR P11274 11/20 0.51
RAB9A P51151 1/20 0.50
KIT P10721 5/20 0.46
LMNA P02545 2/20 0.46
PDGFRA P16234 2/20 0.46
PLK4 O00444 1/20 0.46
DDX3X O00571 1/20 0.46
GAK O14976 1/20 0.46
SLC22A2 O15244 1/20 0.46
MAPK13 O15264 1/20 0.46
CA12 O43570 1/20 0.46
SLC22A3 O75751 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALB P02768 1/20 0.46
RAF1 P04049 1/20 0.46
ERBB2 P04626 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
SCHEMBL30114678 1.00 ABL1 (0.51) ABL1BCRRAB9AKITLMNA
SCHEMBL30114743 0.91 RAB9A (0.55) ABL1BCRRAB9AKITLMNA
SCHEMBL21799123 0.91 RAB9A (0.55) ABL1BCRRAB9AKITLMNA
SCHEMBL20190849 0.90 RAB9A (0.46) ABL1BCRRAB9AKITLMNA
SCHEMBL30114735 0.90 RAB9A (0.46) ABL1BCRRAB9AKITLMNA
SCHEMBL20188357 0.90 RAB9A (0.51) ABL1BCRRAB9AKITLMNA
SCHEMBL30114881 0.90 RAB9A (0.51) ABL1BCRRAB9AKITLMNA
SCHEMBL21799072 0.89 RAB9A (0.51) ABL1BCRRAB9AKITLMNA
SCHEMBL30530277 0.89 RAB9A (0.51) ABL1BCRRAB9AKITLMNA
SCHEMBL21799112 0.88 RAB9A (0.49) ABL1BCRRAB9AKITLMNA

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 5 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 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
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 1218/4885BCR 1466/4885RAB9A 388/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 ABL1 1395/4885BCR 1297/4885RAB9A 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.