SCHEMBL21799100

SCHEMBL21799100

CSc1cnc(Nc2ccc(C(=O)Nc3cccc(CN4CCOCC4)c3)cc2F)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
KCNH2 Q12809 1/20 0.55
SCN9A Q15858 1/20 0.44
WNT3A P56704 3/20 0.43
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK1 P06493 1/20 0.42
KDR P35968 1/20 0.42
AURKA O14965 1/20 0.42
MET P08581 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
SCHEMBL30114863 1.00 ABL1 (0.55) ABL1KCNH2SCN9AWNT3ACDK2
SCHEMBL30530284 0.92 ABL1 (0.48) ABL1KCNH2SCN9AWNT3ARAB9A
SCHEMBL21799136 0.92 ABL1 (0.48) ABL1KCNH2SCN9AWNT3ARAB9A
SCHEMBL21799093 0.91 ABL1 (0.58) ABL1KCNH2SCN9ACDK2CCNA2
SCHEMBL30530280 0.91 ABL1 (0.58) ABL1KCNH2SCN9ACDK2CCNA2
SCHEMBL20188432 0.90 ABL1 (0.47) ABL1KCNH2SCN9ARAB9AKDR
SCHEMBL30530275 0.90 ABL1 (0.47) ABL1KCNH2SCN9ARAB9AKDR
SCHEMBL21799058 0.90 ABL1 (0.54) ABL1KCNH2SCN9AWNT3ACDK2
SCHEMBL30530300 0.90 ABL1 (0.54) ABL1KCNH2SCN9AWNT3ACDK2
SCHEMBL21799047 0.89 ABL1 (0.46) ABL1KCNH2WNT3ARAB9AKDR

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 1218/4885KCNH2 2640/4885SCN9A 3728/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 ABL1 1395/4885KCNH2 1702/4885SCN9A 3320/4885

“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.