SCHEMBL27030010

SCHEMBL27030010

Cc1cc(C(F)F)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2B P29275 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31493081 0.80 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL807733 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL16579706 0.78 ADORA2A (0.41) KMT2AMEN1ALDH1A1ADORA2AADORA1
SCHEMBL19024340 0.77 ADORA2A (0.37) ALDH1A1ADORA2AADORA1TSHRRAD51
SCHEMBL390428 0.75
SCHEMBL25088016 0.74 ADORA2A (0.36) HTTADORA2AADORA1LMNARAD51
SCHEMBL31558755 0.74 ADORA2A (0.36) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL13744678 0.74 HSP90AA1 (0.48) ADORA2AADORA1MAPTPOLBNPC1
SCHEMBL30670430 0.72 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL30756045 0.72 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 CN disclosed
WO-2022194122-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-09-22 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-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR KMT2A 3228/4885MEN1 251/4885ALDH1A1 1920/4885

“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.