SCHEMBL21799095

SCHEMBL21799095

CSc1cnc(Nc2ccc(C(=O)Nc3cccc(CN4CCOCC4)c3)cc2)nc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.48
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 2/20 0.45
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45
CDK2 P24941 2/20 0.45
AURKA O14965 1/20 0.45
JAK2 O60674 2/20 0.45
SRC P12931 1/20 0.45
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
ABL1 P00519 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL30530292 1.00 ACKR3 (0.48) ACKR3CDK1KDREGFRHIF1A
SCHEMBL30114708 0.90 RAB9A (0.47) KDREGFRHIF1AEPAS1JAK2
SCHEMBL21799105 0.90 RAB9A (0.47) KDREGFRHIF1AEPAS1JAK2
SCHEMBL20188564 0.89 RAB9A (0.51) ACKR3CDK1KDREGFRHIF1A
SCHEMBL30530291 0.89 RAB9A (0.51) ACKR3CDK1KDREGFRHIF1A
SCHEMBL21799093 0.88 ABL1 (0.58) CDK1KDRCDK2CCNA2CCNA1
SCHEMBL30530280 0.88 ABL1 (0.58) CDK1KDRCDK2CCNA2CCNA1
SCHEMBL20188277 0.82 HIF1A (0.51) CDK1KDREGFRHIF1AEPAS1
SCHEMBL30114889 0.82 HIF1A (0.51) CDK1KDREGFRHIF1AEPAS1
SCHEMBL21799058 0.81 ABL1 (0.54) CDK1KDRCDK2AURKACCNA2

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 ACKR3 812/4885CDK1 2389/4885KDR 1329/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 ACKR3 456/4885CDK1 1909/4885KDR 962/4885

“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.