SCHEMBL22554076

SCHEMBL22554076

Cn1cc(I)c2cc(N)cnc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
HASPIN Q8TF76 1/20 0.40
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL31513446 1.00 BRD4 (0.50) BRD4HASPINCDK5CDK5R1GSK3B
SCHEMBL21000380 0.81 BRD4 (0.33) BRD4GSK3BADORA2AADORA1
SCHEMBL17211632 0.80 BRD4 (0.55) BRD4HASPIN
SCHEMBL12599212 0.80 BRD4 (0.36) BRD4GSK3BADORA2AADORA1
SCHEMBL24331224 0.79 BRD4 (0.50) BRD4HASPINGSK3B
SCHEMBL30505958 0.79 LRRK2 (0.38) BRD4GSK3BADORA2AADORA1
SCHEMBL30628652 0.79 PDK1 (0.34) BRD4GSK3BADORA2AADORA1
SCHEMBL29027047 0.79 LRRK2 (0.38) BRD4GSK3BADORA2AADORA1
SCHEMBL4405852 0.79 BRD4 (0.50) BRD4HASPINCDK5GSK3BDYRK1A
SCHEMBL25971498 0.79 BRD4 (0.32) BRD4

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
WO-2025088534-A1 BICYCLIC HETEROCYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2025-05-01 WO disclosed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 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 (3 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C BRD4 309/4885HASPIN 361/4885CDK5 67/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C BRD4 309/4885HASPIN 361/4885CDK5 67/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885HASPIN 975/4885CDK5 98/4885

“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.