SCHEMBL29463632

SCHEMBL29463632

Cn1cc(Br)nc(Nc2ccc(F)c([N+](=O)[O-])c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ BRD4 O60885 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 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
SCHEMBL1069072 1.00 ABCG2 (0.47) ABCG2BRD4SMN1; SMN2EGFRHCRTR1
SCHEMBL28687296 0.95 ABCG2 (0.43) ABCG2BRD4SMN1; SMN2EGFRHCRTR1
SCHEMBL1065239 0.84 MAPT (0.39) ABCG2SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL21275234 0.81 SMN1; SMN2 (0.48) BRD4SMN1; SMN2EGFRALDH1A1LMNA
SCHEMBL30567482 0.81 SMN1; SMN2 (0.48) BRD4SMN1; SMN2EGFRALDH1A1LMNA
SCHEMBL12672000 0.79 MAP2K1 (0.33) BRD4EGFR
SCHEMBL1066484 0.77 MAPT (0.34) SMN1; SMN2EGFRCYP1A2CYP2C19ALDH1A1
SCHEMBL23164344 0.75 MAPT (0.36) SMN1; SMN2CYP2C19ALDH1A1LMNAMEN1
SCHEMBL23164382 0.75 SRC (0.33) BRD4SMN1; SMN2EGFRCYP2C19ALDH1A1
SCHEMBL23165052 0.75 MAPT (0.41) SMN1; SMN2EGFRLMNAMAPTMAPK1

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-20240390368-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2024-11-28 — — US disclosed
CN-116406259-A Dosage form compositions comprising inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2023-07-07 — — CN disclosed
EP-4196124-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-06-21 — — EP disclosed
WO-2023076167-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2023-05-04 — — WO disclosed
WO-2022036171-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2022-02-17 — — 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 (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-20240390368-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, LYN, JAK2 ABCG2 2801/4885BRD4 691/4885SMN1; SMN2 3738/4885

“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.

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