SCHEMBL22163841

SCHEMBL22163841

Cc1ccnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.40
▸ IL1B P01584 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ DHFR P00374 1/20 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
SCHEMBL22163842 0.92 DHODH (0.39) DHODHKDM4ENPC1HCRTR1USP2
SCHEMBL22172360 0.89 XIAP (0.37) DHODHKDM4ENPC1HCRTR1USP2
SCHEMBL22172386 0.89 DHODH (0.41) DHODHKDM4ENPC1HCRTR1USP2
SCHEMBL30721822 0.85 MAP4K4 (0.45) DHODHDHFRALKBH5MAP4K4
SCHEMBL22172332 0.85 MAP4K4 (0.45) DHODHDHFRALKBH5MAP4K4
SCHEMBL22172424 0.84 DHODH (0.34) DHODHIL1BKDM4ENPC1HCRTR1
SCHEMBL22172400 0.83 MAPK14 (0.34) DHODHKDM4ENPC1HCRTR1USP2
SCHEMBL22172355 0.83 MAPK14 (0.40) KDM4ENPC1HCRTR1USP2ALDH1A1
SCHEMBL30721862 0.83 MAPK14 (0.40) KDM4ENPC1HCRTR1USP2ALDH1A1
SCHEMBL30721833 0.81 ALDH1A1 (0.39) DHODHKDM4ENPC1HCRTR1USP2

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
CN-113166109-B Aminopyridine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-02 — — CN disclosed
US-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN-KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD (CN) 2022-01-20 — — US disclosed
EP-3904348-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 — — EP disclosed
WO-2020135195-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 — — WO disclosed
WO-2020135195-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 — — WO 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 (1 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-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF ADORA1, ADORA2A, ADORA2B DHODH 1035/4885IL1B 580/4885KDM4E 3318/4885

“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.

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