SCHEMBL5835922

SCHEMBL5835922

O=C(Cc1ccccc1)Nc1ncc(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 1.00
CDK2 P24941 12/20 1.00
CDK5 Q00535 12/20 1.00
SMN1; SMN2 Q16637 4/20 0.65
CDK5R1 Q15078 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CCNT1 O60563 1/20 0.65
CDK1 P06493 1/20 0.65
CDK4 P11802 1/20 0.65
CCNB1 P14635 1/20 0.65
CCNA2 P20248 1/20 0.65
CCND1 P24385 1/20 0.65
CDK7 P50613 1/20 0.65
CDK9 P50750 1/20 0.65
CCNH P51946 1/20 0.65
MNAT1 P51948 1/20 0.65
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL5836854 0.87 CCNE1 (0.77) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL27578137 0.86 CCNE1 (0.76) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5835387 0.85 CCNE1 (0.74) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5835795 0.84 CCNE1 (0.72) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL27780255 0.83 CCNE1 (0.71) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL2021250 0.83 CCNE1 (0.76) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5835776 0.82 CCNE1 (0.70) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5363292 0.81 CCNE1 (0.68) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL3131310 0.81 CCNE1 (0.78) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5835614 0.81 CCNE1 (0.67) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN claimed
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
EP-3807273-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-04-21 EP disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO disclosed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA CCNE1 2283/4885CDK2 730/4885CDK5 334/4885

“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.