SCHEMBL21113360

SCHEMBL21113360

C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3ccnn3C3CCCCO3)ccn12)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
EZH2 Q15910 9/20 0.34
EED O75530 8/20 0.34
RBBP4 Q09028 8/20 0.34
SUZ12 Q15022 8/20 0.34
AEBP2 Q6ZN18 8/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL19964858 0.89 ATR (0.40) ATRCYP4F2CYP4A11EZH2HCRTR1
SCHEMBL28886622 0.89 CYP4F2 (0.35) ATRCYP4F2CYP4A11EZH2HCRTR1
SCHEMBL21113205 0.87 EED (0.45) ATRCYP4F2CYP4A11EZH2EED
SCHEMBL21113320 0.79 EZH2 (0.38) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113520 0.78 EZH2 (0.49) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113275 0.78 LRRK2 (0.33) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19964855 0.77 EED (0.47) ATRCYP4F2CYP4A11EZH2EED
SCHEMBL28886644 0.77 EED (0.40) ATRCYP4F2CYP4A11EZH2EED
SCHEMBL19964809 0.75 CYP4F2 (0.42) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL21157318 0.75 EZH2 (0.44) ATREZH2EEDRBBP4SUZ12

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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP disclosed
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 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 (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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 ATR 1112/4885CYP4F2 768/4885CYP4A11 251/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ATR 1112/4885CYP4F2 768/4885CYP4A11 251/4885

“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.