SCHEMBL22888210

SCHEMBL22888210

CC(C)c1ccc2[nH]nc(C(N)=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.48
▸ NTRK1 P04629 1/20 0.44
▸ DYRK1A Q13627 7/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ MAP2K4 P45985 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL6598584 0.86 PRKAG1 (0.55) GSK3BDYRK1AKDM4EGAANPC1
SCHEMBL6607918 0.82 KDM4E (0.60) GSK3BDYRK1AKDM4EWNT1NPC1
SCHEMBL2661889 0.80 JAK2 (0.55) GSK3BNTRK1DYRK1AMAPK1KDM4E
SCHEMBL15942818 0.80 MAP2K4 (0.62) NTRK1DYRK1ALRRK2MAP2K4MAPK1
SCHEMBL23368472 0.79 GSK3B (0.47) GSK3BNTRK1DYRK1ALRRK2MAP2K4
SCHEMBL8877161 0.78 JAK2 (0.54) NTRK1DYRK1ALRRK2MAP2K4MAPK1
SCHEMBL4403644 0.77 MAP2K4 (0.49) NTRK1DYRK1ALRRK2MAP2K4MAPK1
SCHEMBL17039120 0.76 JAK2 (0.64) GSK3BNTRK1DYRK1AMAP2K4MAPK1
SCHEMBL6195016 0.76 DYRK1A (0.44) NTRK1DYRK1ALRRK2MAP2K4MAPK1
SCHEMBL28575862 0.76 NTRK1 (0.58) NTRK1DYRK1AMAP2K4MAPK1MAPK6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 — — EP 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 GSK3B 1168/4885NTRK1 4809/4885DYRK1A 4733/4885

“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.

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