SCHEMBL21831999

SCHEMBL21831999

CC(C)(C)[Si](C)(C)OC1CCc2cn[nH]c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
RPS6KA3 P51812 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL3806985 0.73 PLAU (0.41)
SCHEMBL21831997 0.70 CYP11B2 (0.38)
SCHEMBL12424334 0.70 DRD2 (0.43) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL26242979 0.70 DRD2 (0.43) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL26242978 0.70 DRD2 (0.43) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL7586414 0.70 DRD2 (0.40) DRD2DRD3
SCHEMBL23364990 0.69 CYP2C9 (0.40) CYP1A2
SCHEMBL2949597 0.68 BUB1 (0.31) BUB1
SCHEMBL8067894 0.68 BUB1 (0.31) BUB1
SCHEMBL10605918 0.68 BUB1 (0.31) BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
US-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-08 US disclosed
US-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-08 US disclosed
US-20200109131-A1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-09 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-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases REN, AGTR1, AGTR2 DAPK3 2453/4885JAK2 233/4885CSF1R 1102/4885
US-20200109131-A1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES REN, AGTR1, AGTR2 DAPK3 2453/4885JAK2 233/4885CSF1R 1102/4885

“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.