SCHEMBL20472000

SCHEMBL20472000

COc1ccc2[nH]cnc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ABL1 P00519 1/20 0.41
RAD52 P43351 1/20 0.41
RIN1 Q13671 1/20 0.41
MMP12 P39900 1/20 0.39
RET P07949 1/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
QPCT Q16769 2/20 0.37
LMNA P02545 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7343538 0.80 BRD4 (0.48) BRD4ABL1RAD52RIN1MMP12
SCHEMBL3034158 0.79 BRD4 (0.47) BRD4ABL1RAD52RIN1MMP12
SCHEMBL17142252 0.77 PARP1 (0.51) ABL1RAD52RIN1RETJAK2
Hydrochloric Acid SCHEMBL28110843 0.76 PARP1 (0.50) ABL1RAD52RIN1RETJAK2
SCHEMBL4607622 0.76 LMNA (0.40) BRD4LMNAALDH1A1PKMDPP4
SCHEMBL4535246 0.75 DPP4 (0.44) ABL1RETLMNAJAK2ALDH1A1
SCHEMBL10140 0.74 BRD4 (0.60) BRD4ABL1RAD52RIN1MMP12
SCHEMBL4604450 0.74 KDM4E (0.40) ALDH1A1PKMMEN1KMT2A
SCHEMBL1081560 0.73 CA12 (0.47) BRD4ABL1RAD52RIN1QPCT
Hydrochloric Acid SCHEMBL4603481 0.73 KDM4E (0.39) ALDH1A1PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
WO-2018147626-A1 NOVEL HETEROCYCLIC COMPOUND, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-08-16 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-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS BRD4 1946/4885ABL1 2714/4885RAD52 4731/4885

“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.