SCHEMBL21113440

SCHEMBL21113440

CCOC(=O)c1cc2cc(-c3cncs3)cn2c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
EED O75530 2/20 0.38
RBBP4 Q09028 2/20 0.38
SUZ12 Q15022 2/20 0.38
EZH2 Q15910 2/20 0.38
AEBP2 Q6ZN18 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 6/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 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
SCHEMBL21113150 0.89 EED (0.37) RAB9ANPC1EEDRBBP4SUZ12
SCHEMBL21113222 0.73 BRD4 (0.40) RAB9ANPC1EEDRBBP4SUZ12
SCHEMBL17331517 0.71 ALDH1A1 (0.46) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL19964442 0.71 EED (0.38) RAB9ANPC1EEDRBBP4SUZ12
SCHEMBL21113302 0.70 RAB9A (0.39) RAB9ANPC1EEDRBBP4SUZ12
SCHEMBL11713162 0.70 ESR1 (0.51) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL19964897 0.70 CASP1 (0.45) HSD17B10KDM4EALDH1A1HPGDMAPT
SCHEMBL21113193 0.69 ALDH1A1 (0.38) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL21113259 0.69 RAB9A (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL21113313 0.69 MMP2 (0.46) RAB9ANPC1EEDRBBP4SUZ12

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 4 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
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

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 4625/4885EED 41/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 RAB9A 2704/4885NPC1 4625/4885EED 41/4885

“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.