SCHEMBL22179957

SCHEMBL22179957

Cc1ncnc2ccc(-c3cnc(NC(=O)N4CCC(C#N)CC4)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ JUN P05412 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ SSTR2 P30874 3/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PDGFRB P09619 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
SCHEMBL30738266 1.00 ALDH1A1 (0.38) ALDH1A1JUNCDK2MAPK8MAPK9
SCHEMBL30738220 0.88 SSTR2 (0.40) SSTR2PAK1HDAC1HDAC2ATM
SCHEMBL22179962 0.88 SSTR2 (0.40) SSTR2PAK1HDAC1HDAC2ATM
SCHEMBL22180265 0.87 ABL1 (0.47) ALDH1A1HDAC1HDAC2ABL1ATM
SCHEMBL30738323 0.87 ABL1 (0.47) ALDH1A1HDAC1HDAC2ABL1ATM
SCHEMBL22179959 0.86 HDAC1 (0.46) ALDH1A1JAK2HDAC1HDAC2ABL1
SCHEMBL30738352 0.86 HDAC1 (0.46) ALDH1A1JAK2HDAC1HDAC2ABL1
SCHEMBL30738554 0.83 SLC34A1 (0.40) HDAC1HDAC2
SCHEMBL22179708 0.83 SLC34A1 (0.40) HDAC1HDAC2
SCHEMBL22179710 0.82 MAP4K4 (0.39) HDAC1HDAC2ABL1

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-113166119-B Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-05 — — CN disclosed
US-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-23 — — US disclosed
EP-3904352-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 — — EP disclosed
CN-113166119-A Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-23 — — CN disclosed
WO-2020135210-A1 SUBSTITUTED ARYL COMPOUND AND 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-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF ADORA2A, ADORA1, ADORA3 ALDH1A1 612/4885JUN 3530/4885CDK2 1445/4885

“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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