SCHEMBL21799089

SCHEMBL21799089

COc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.55
JAK3 P52333 2/20 0.55
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
WNT3A P56704 1/20 0.48
MCHR1 Q99705 2/20 0.48
HTR2C P28335 1/20 0.48
ACKR3 P25106 1/20 0.46
ABCB1 P08183 1/20 0.46
KMT2A Q03164 1/20 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
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46

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
SCHEMBL30530310 1.00 JAK2 (0.55) JAK2JAK3NPC1RAB9AWNT3A
SCHEMBL20188120 0.94 RAB9A (0.49) JAK2JAK3NPC1RAB9AMCHR1
SCHEMBL21799055 0.92 WDR5 (0.46) JAK2JAK3NPC1RAB9AWNT3A
SCHEMBL30530279 0.92 WDR5 (0.46) JAK2JAK3NPC1RAB9AWNT3A
SCHEMBL20188567 0.91 ABL1 (0.53) JAK2JAK3MCHR1HTR2CACKR3
SCHEMBL30530281 0.91 ABL1 (0.53) JAK2JAK3MCHR1HTR2CACKR3
SCHEMBL20188115 0.91 JAK2 (0.52) JAK2JAK3HIF1AEPAS1
SCHEMBL20191208 0.91 JAK2 (0.58) JAK2JAK3KMT2ACDK1HIF1A
SCHEMBL21799072 0.89 RAB9A (0.51) JAK2JAK3NPC1RAB9AMCHR1
SCHEMBL30530277 0.89 RAB9A (0.51) JAK2JAK3NPC1RAB9AMCHR1

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 2 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 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 (1 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 JAK2 355/4885JAK3 511/4885NPC1 238/4885

“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.