SCHEMBL25833718

SCHEMBL25833718

O=C(Nc1nc2cc(Br)ccn2n1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.48
JAK2 O60674 9/20 0.46
ABL1 P00519 1/20 0.46
KDR P35968 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CG P48736 1/20 0.44
IKBKB O14920 1/20 0.43
RIPK2 O43353 1/20 0.43
LCK P06239 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
GSK3B P49841 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL24296290 0.84 KDR (0.50) JAK1JAK2KDRIKBKBRIPK2
SCHEMBL20472534 0.82 AHR (0.48) JAK2PIK3CDPIK3CGJAK3
SCHEMBL26847126 0.81 JAK2 (0.47) JAK1JAK2KDRPIK3CDPIK3CG
SCHEMBL3761195 0.81 PIK3CG (0.49) PIK3CDPIK3CG
SCHEMBL26848583 0.77 JAK2 (0.44) JAK1JAK2KDRPIK3CDPIK3CG
SCHEMBL31385125 0.77 RIPK1 (0.46)
SCHEMBL26906154 0.76 ABL1 (0.48) ABL1
SCHEMBL3912369 0.75 ROCK2 (0.44) PIK3CDPIK3CG
SCHEMBL4283763 0.75 JAK2 (0.52) JAK1JAK2KDRIKBKBRIPK2
SCHEMBL13535387 0.75 JAK1 (0.58) JAK1JAK2IKBKBRIPK2LCK

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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
CN-114230565-B 5-substituted indole 3-amide derivative, preparation method and application thereof 成都奥睿药业有限公司 2023-10-27 CN disclosed
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed
CN-114230565-A 5-substituted indole 3-amide derivative and preparation method and application thereof 成都奥睿药业有限公司 2022-03-25 CN 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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 JAK1 368/4885JAK2 400/4885ABL1 2353/4885

“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.