SCHEMBL20190805

SCHEMBL20190805

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3F)cc2F)nc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
MCHR1 Q99705 7/20 0.45
HTR2C P28335 3/20 0.45
WDR5 P61964 6/20 0.45
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CDK2 P24941 1/20 0.44
AURKB Q96GD4 1/20 0.44
NPC1 O15118 2/20 0.43
WNT3A P56704 1/20 0.43
F10 P00742 1/20 0.41
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL30530278 1.00 RAB9A (0.49) RAB9AMCHR1HTR2CWDR5AURKA
SCHEMBL21799082 0.94 RAB9A (0.47) RAB9AMCHR1HTR2CWDR5AURKA
SCHEMBL30114860 0.94 RAB9A (0.47) RAB9AMCHR1HTR2CWDR5AURKA
SCHEMBL20188209 0.92 RAB9A (0.51) RAB9AMCHR1HTR2CAURKACDK1
SCHEMBL30114859 0.92 RAB9A (0.51) RAB9AMCHR1HTR2CAURKACDK1
SCHEMBL21799136 0.91 ABL1 (0.48) RAB9AWDR5WNT3A
SCHEMBL30530284 0.91 ABL1 (0.48) RAB9AWDR5WNT3A
SCHEMBL21799114 0.87 MCHR1 (0.51) MCHR1HTR2CHDAC1
SCHEMBL30530295 0.87 MCHR1 (0.51) MCHR1HTR2CHDAC1
SCHEMBL20188432 0.86 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 7 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
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 RAB9A 388/4885MCHR1 318/4885HTR2C 206/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 RAB9A 256/4885MCHR1 153/4885HTR2C 322/4885

“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.