SCHEMBL23529802

SCHEMBL23529802

Nc1ccnn1-c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.39
DGAT1 O75907 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
DPP4 P27487 1/20 0.33
EPHX2 P34913 1/20 0.33
BACE1 P56817 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL23533641 0.83 AKR1C3 (0.38) POLBAKR1C3DPP4ALDH1A1KDM5A
SCHEMBL10367661 0.79 POLB (0.43) POLBADRA2AADRA2BADRA2CBACE1
SCHEMBL16370710 0.79 NOS3 (0.44) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28870997 0.73 KDM5A (0.42) AKR1C3ADRA2AADRA2BADRA2CPLAU
SCHEMBL4951229 0.73 POLB (0.64) POLBDGAT1ALDH1A1KDM4EKMT2A
SCHEMBL2407994 0.72 ALDH1A1 (0.40) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL544026 0.72 POLB (0.57) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL1556091 0.71 GRIN2D (0.45) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17112750 0.70 POLB (0.46) POLBDGAT1ALDH1A1KDM4EMAPT
SCHEMBL25252949 0.70 AKR1C3 (0.39) AKR1C3DPP4ALDH1A1KDM5AKDM4C

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-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 EP disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 EP disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2022-11-17 US disclosed
EP-4076662-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2022-10-26 EP disclosed
CN-114929342-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2022-08-19 CN disclosed
WO-2021120890-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 POLB 3028/4885AKR1C3 756/4885DGAT1 3825/4885
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 POLB 3028/4885AKR1C3 756/4885DGAT1 3825/4885

“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.