SCHEMBL5144295

SCHEMBL5144295

Cc1cccc2c1nc(C)n2N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.44
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ NOS2 P35228 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAD52 P43351 1/20 0.33

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
SCHEMBL5145732 0.81 NR1H2 (0.41) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL5146857 0.81 CYP11B2 (0.40) ALDH1A1KDM4ENOS2NPC1RAB9A
SCHEMBL353025 0.78 CYP1A2 (0.59) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5144279 0.76 DAO (0.41) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14304355 0.76 TLR8 (0.41) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5928692 0.74 KDM4E (0.60) ALDH1A1KDM4ENPC1RAB9AHTR3A
Formamide SCHEMBL28367514 0.73 CYP1A2 (0.51) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14247767 0.73 HTR6 (0.40) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15112010 0.73 KMT2A (0.40) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28791312 0.72 KMT2A (0.39) TLR8CYP1A2CYP3A4CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 — — CN disclosed
EP-3866216-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2021-08-18 — — EP disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 — — US disclosed
CN-108707140-A Protease C inhibitor 勃林格殷格翰国际有限公司 2018-10-26 — — CN disclosed
CN-105026395-B Substituted azabicyclic amide cathepsin C inhibitor, pharmaceutical composition and pharmaceutical application thereof 勃林格殷格翰国际有限公司 2018-07-20 — — CN disclosed
CN-105026395-A Substituted 2-aza-bicyclo [2.2.1] heptane-3-carboxylic acid (benzyl-cyano-methyl) -amide cathepsin C inhibitors BOEHRINGER INGELHEIM INT 2015-11-04 — — CN disclosed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 — — 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 (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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 TLR8 1854/4885CYP1A2 2849/4885CYP3A4 2668/4885
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 TLR8 4653/4885CYP1A2 1451/4885CYP3A4 2092/4885

“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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