SCHEMBL25810554

SCHEMBL25810554

O=C(Cc1cccnc1)Nc1ccc(Cl)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 2/20 0.55
PSMB8 P28062 1/20 0.55
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.52
RORC P51449 4/20 0.52
ROCK2 O75116 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
RECQL P46063 1/20 0.51
PDE3B Q13370 1/20 0.51
TSHR P16473 1/20 0.48
ERCC1 P07992 1/20 0.48

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
SCHEMBL24030971 0.81 CYP1A2 (0.50) MEN1KMT2ARAB9ARORCCYP1A2
SCHEMBL362394 0.78 ALDH1A1 (0.66) KMT2AALDH1A1L3MBTL1RAB9APSMB8
SCHEMBL2389201 0.77 ROCK2 (0.62) ALDH1A1RAB9APSMB8HPGDROCK2
SCHEMBL13766306 0.75 SMN1; SMN2 (0.58) KMT2ALMNAGAAL3MBTL1PSMB8
SCHEMBL10759415 0.75 PSMB8 (0.55) ALDH1A1PSMB8HPGDROCK2CYP1A2
SCHEMBL30510132 0.74 CFD (0.62) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL2857168 0.74 ERCC1 (0.70) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL25380516 0.74 CFD (0.62) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL22959366 0.74 RORC (0.79) KMT2AALDH1A1GAAL3MBTL1RORC
SCHEMBL29103848 0.73 GSTO1 (0.56) MEN1KMT2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 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 (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-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 MEN1 1259/4885KMT2A 105/4885ALDH1A1 1645/4885

“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.