SCHEMBL21799055

SCHEMBL21799055

COc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2F)nc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.46
LRRK2 Q5S007 2/20 0.46
ABCB1 P08183 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MCHR1 Q99705 4/20 0.45
HTR2C P28335 2/20 0.45
WNT3A P56704 1/20 0.44
EGFR P00533 1/20 0.44
ACKR3 P25106 1/20 0.44
IGF1R P08069 1/20 0.43
KCNH2 Q12809 1/20 0.43
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
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL30530279 1.00 WDR5 (0.46) WDR5LRRK2ABCB1JAK2JAK3
SCHEMBL20188304 0.92 ABL1 (0.47) LRRK2ABCB1MCHR1HTR2CACKR3
SCHEMBL30114656 0.92 ABL1 (0.47) LRRK2ABCB1MCHR1HTR2CACKR3
SCHEMBL21799089 0.92 JAK2 (0.55) ABCB1JAK2JAK3MCHR1HTR2C
SCHEMBL30530310 0.92 JAK2 (0.55) ABCB1JAK2JAK3MCHR1HTR2C
SCHEMBL30114860 0.89 RAB9A (0.47) WDR5MCHR1HTR2CWNT3AACKR3
SCHEMBL21799082 0.89 RAB9A (0.47) WDR5MCHR1HTR2CWNT3AACKR3
SCHEMBL20188120 0.85 RAB9A (0.49) JAK2JAK3MCHR1HTR2CACKR3
SCHEMBL21799101 0.85 ABL1 (0.45) ABCB1EGFR
SCHEMBL30114963 0.85 ABL1 (0.45) ABCB1EGFR

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
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP 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 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
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP 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-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 WDR5 1515/4885LRRK2 1347/4885ABCB1 569/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 WDR5 1442/4885LRRK2 867/4885ABCB1 785/4885

“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.