SCHEMBL21799082

SCHEMBL21799082

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2F)nc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
WDR5 P61964 4/20 0.46
MCHR1 Q99705 6/20 0.45
HTR2C P28335 4/20 0.45
ACKR3 P25106 1/20 0.44
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK2 P24941 1/20 0.43
AURKB Q96GD4 1/20 0.43
GALR3 O60755 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
WNT3A P56704 2/20 0.42
LDLR P01130 1/20 0.41
KIT P10721 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41

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
SCHEMBL30114860 1.00 RAB9A (0.47) RAB9AWDR5MCHR1HTR2CACKR3
SCHEMBL20190805 0.94 RAB9A (0.49) RAB9AWDR5MCHR1HTR2CAURKA
SCHEMBL30530278 0.94 RAB9A (0.49) RAB9AWDR5MCHR1HTR2CAURKA
SCHEMBL21799114 0.93 MCHR1 (0.51) MCHR1HTR2CACKR3HDAC1
SCHEMBL30530295 0.93 MCHR1 (0.51) MCHR1HTR2CACKR3HDAC1
SCHEMBL21799107 0.92 ABL1 (0.48) MCHR1HTR2CACKR3KITHDAC1
SCHEMBL30530285 0.92 ABL1 (0.48) MCHR1HTR2CACKR3KITHDAC1
SCHEMBL21799072 0.92 RAB9A (0.51) RAB9AMCHR1HTR2CACKR3AURKA
SCHEMBL30530277 0.92 RAB9A (0.51) RAB9AMCHR1HTR2CACKR3AURKA
SCHEMBL20188432 0.92 ABL1 (0.47) RAB9AWDR5

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 RAB9A 388/4885WDR5 1515/4885MCHR1 318/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 RAB9A 256/4885WDR5 1442/4885MCHR1 153/4885

“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.