SCHEMBL21113078

SCHEMBL21113078

Cc1c(C(=O)O)cc2c(-c3cnn(C4CCOCC4)c3)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EED O75530 14/20 0.72
RBBP4 Q09028 14/20 0.72
SUZ12 Q15022 14/20 0.72
EZH2 Q15910 14/20 0.72
AEBP2 Q6ZN18 14/20 0.72
CREBBP Q92793 3/20 0.37
NTRK1 P04629 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 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
SCHEMBL21113436 0.92 EED (0.69) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886531 0.88 EED (0.58) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113113 0.85 EED (1.00) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964893 0.82 EED (0.65) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964989 0.81 EED (0.57) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964985 0.81 EED (0.65) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886630 0.80 EED (0.55) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964799 0.80 EED (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964954 0.80 EED (0.66) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964680 0.78 EED (0.56) EEDRBBP4SUZ12EZH2AEBP2

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-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
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 EED 41/4885RBBP4 288/4885SUZ12 3/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EED 41/4885RBBP4 288/4885SUZ12 3/4885

“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.