SCHEMBL21799072

SCHEMBL21799072

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.49
HTR2C P28335 1/20 0.48
MCHR1 Q99705 1/20 0.48
ACKR3 P25106 1/20 0.46
ABL1 P00519 5/20 0.46
BCR P11274 5/20 0.46
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK2 P24941 1/20 0.46
AURKB Q96GD4 1/20 0.46
KIT P10721 2/20 0.45
PLK4 O00444 1/20 0.45
DDX3X O00571 1/20 0.45
GAK O14976 1/20 0.45
SLC22A2 O15244 1/20 0.45
MAPK13 O15264 1/20 0.45

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
SCHEMBL30530277 1.00 RAB9A (0.51) RAB9ANPC1HTR2CMCHR1ACKR3
SCHEMBL30114859 0.94 RAB9A (0.51) RAB9ANPC1HTR2CMCHR1JAK2
SCHEMBL20188209 0.94 RAB9A (0.51) RAB9ANPC1HTR2CMCHR1JAK2
SCHEMBL21799123 0.94 RAB9A (0.55) RAB9AABL1BCRCDK1KIT
SCHEMBL30114743 0.94 RAB9A (0.55) RAB9AABL1BCRCDK1KIT
SCHEMBL21799112 0.93 RAB9A (0.49) RAB9AABL1BCRJAK2JAK3
SCHEMBL20188277 0.93 HIF1A (0.51) RAB9AABL1BCRJAK2JAK3
SCHEMBL30114702 0.93 RAB9A (0.49) RAB9AABL1BCRJAK2JAK3
SCHEMBL30114889 0.93 HIF1A (0.51) RAB9AABL1BCRJAK2JAK3
SCHEMBL30114741 0.93 MCHR1 (0.54) HTR2CMCHR1ACKR3ABL1BCR

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 RAB9A 388/4885NPC1 238/4885HTR2C 206/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 RAB9A 256/4885NPC1 472/4885HTR2C 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.