SCHEMBL21113435

SCHEMBL21113435

CCOC(=O)c1cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c(C(C)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRAMD1A Q96CP6 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GCK P35557 12/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL21113279 0.80 NAMPT (0.41) ADORA1HPGD
SCHEMBL8858610 0.78 NPC1 (0.53) ADORA1FGFR3KDRNPC1RAB9A
SCHEMBL21157360 0.78 EED (0.49) FGFR3KDRGRAMD1AGCK
SCHEMBL21113039 0.75 EED (0.51) FGFR3KDRNPC1RAB9AGRAMD1A
SCHEMBL978537 0.73 ADORA1 (0.59) ADORA1NPC1RAB9AGRAMD1AHPGD
SCHEMBL21113105 0.73 RET (0.50) HPGD
SCHEMBL21113187 0.73 TP53 (0.43) FGFR3KDRHPGDKDM4EALDH1A1
SCHEMBL3666966 0.71 NPC1 (0.54) ADORA1FGFR3KDRNPC1RAB9A
SCHEMBL18703636 0.71 NPC1 (0.54) ADORA1FGFR3KDRNPC1RAB9A
SCHEMBL21113193 0.70 ALDH1A1 (0.38) NPC1RAB9AHPGDKDM4EALDH1A1

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 3 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
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 ADORA1 2202/4885FGFR3 1051/4885KDR 2066/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ADORA1 2202/4885FGFR3 1051/4885KDR 2066/4885

“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.