SCHEMBL26675355

SCHEMBL26675355

Nc1n[nH]c2nc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.46
JAK2 O60674 3/20 0.46
CDK2 P24941 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHEK1 O14757 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CHUK O15111 2/20 0.34
IKBKB O14920 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL29768213 1.00 PDPK1 (0.46) PDPK1JAK2CDK2CCNT1CCNA2
SCHEMBL31207340 0.78 ADORA1 (0.46) PDPK1JAK2CDK2ADORA2AADORA1
SCHEMBL16752186 0.78 ADORA1 (0.39) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL31520645 0.78 ADORA2A (0.39) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL2160239 0.75 KMT2A (0.53) PDPK1JAK2ADORA2AADORA1CYP3A4
SCHEMBL29727928 0.75 KMT2A (0.53) PDPK1JAK2ADORA2AADORA1CYP3A4
SCHEMBL24159907 0.75 ADORA2A (0.37) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL28515421 0.75 SIRT2 (0.46) PDPK1JAK2CDK5CDK5R1ADORA2A
SCHEMBL7425108 0.72 PDPK1 (0.35) PDPK1JAK2CDK2CYP3A4GAA
SCHEMBL31032821 0.71 CCR1 (0.41) PDPK1JAK2CDK2CCNT1CDK9

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-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US disclosed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 EP disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 US disclosed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 CN disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 WO 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 PDPK1 1700/4885JAK2 1051/4885CDK2 854/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B PDPK1 888/4885JAK2 1858/4885CDK2 1872/4885

“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.