SCHEMBL21113259

SCHEMBL21113259

CCOC(=O)c1cc2cc(-c3cccnc3)cn2c(C(C)=O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
DCTPP1 Q9H773 1/20 0.47
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
TP53 P04637 1/20 0.40
PAX8 Q06710 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
NR4A2 P43354 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL19964897 0.87 CASP1 (0.45) MMP2MMP13MMP14CDC7DBF4
SCHEMBL21113224 0.87 ALDH1A1 (0.44) RAB9ANPC1TSHRNPSR1ALDH1A1
SCHEMBL21113302 0.82 RAB9A (0.39) RAB9ANPC1TP53TSHRALDH1A1
SCHEMBL21113401 0.81 LMNA (0.41) RAB9ANPC1TP53TSHRNPSR1
SCHEMBL29985958 0.81 LMNA (0.41) RAB9ANPC1TP53TSHRNPSR1
SCHEMBL21113062 0.81 ALDH1A1 (0.46) TP53NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21113246 0.81 BAZ2B (0.38) RAB9ANPC1TP53TSHRALDH1A1
SCHEMBL21113232 0.81 PIK3CD (0.38) RAB9ANPC1TP53TSHRALDH1A1
SCHEMBL21113459 0.81 ALDH1A1 (0.37) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL21113150 0.80 EED (0.37) RAB9ANPC1TP53ALDH1A1KDM4E

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
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 CN 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
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 RAB9A 2704/4885NPC1 4625/4885DCTPP1 2012/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 RAB9A 2704/4885NPC1 4625/4885DCTPP1 2012/4885

“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.