SCHEMBL8058607

SCHEMBL8058607

c1ccc2c(c1)nc1ccc3[nH]cccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
KDM4E B2RXH2 5/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 3/20 0.39
MAOA P21397 2/20 0.39
CASP1 P29466 2/20 0.39

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
SCHEMBL28537969 0.81 DYRK1A (0.37) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL28540640 0.81 DYRK1A (0.37) DYRK1ACYP3A4CDK4CCND1
SCHEMBL356854 0.78 DYRK1A (0.35) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL4503458 0.77 CDK4 (0.43) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL28545983 0.77 ALDH1A1 (0.41) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL249194 0.76 DYRK1A (0.38) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL28547076 0.76 DYRK1A (0.33) DYRK1ACYP3A4
SCHEMBL6648490 0.75 DYRK1A (0.52) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL28534158 0.75 CDK4 (0.41) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL249195 0.73 DYRK1A (0.45) DYRK1AALDH1A1MAPTCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545643-B2 3,5-diaminobenzoic acid compound, and Pin1 inhibitor and therapeutic agent for inflammatory diseases using same Amenis Bioscience, Inc (KR) 2026-02-10 US disclosed
CN-117651552-A Therapeutic or prophylactic agent for covd-19 国立大学法人广岛大学 2024-03-05 CN disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
EP-4248997-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR COVID-19 Hiroshima University (JP) 2023-09-27 EP disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
EP-4119165-A1 NOVEL 3,5-DIAMINOBENZOIC ACID COMPOUND, AND PIN1 INHIBITOR AND THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES USING SAME Hiroshima University (JP) 2023-01-18 EP disclosed
CN-115397466-A Novel 3,5-diaminobenzoic acid-based compound, pin1 inhibitor using same, and therapeutic agent for inflammatory disease 国立大学法人广岛大学 2022-11-25 CN disclosed
WO-2022107745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR COVID-19 国立大学法人広島大学 2022-05-27 WO disclosed
EP-0733649-B1 Peroxycarboxylic ester photoinitiators derived from nitrogen heterocycles MINNESOTA MINING & MFG (US) 2000-07-12 EP disclosed
US-5599652-A PHOTOPOLYMERIZABLE MIXTURES ALSO WITH FREE RADICAL POLYMERIZABLE COMPOUNDS AND PHOTOSENSITIZERS IMATION CORP. (US) 1997-02-04 US disclosed
EP-0733649-A1 Peroxycarboxylic ester initiators derived from nitrogen heterocycles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-09-25 EP 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 (3 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-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A DYRK1A 746/4885ALDH1A1 2183/4885MAPT 574/4885
US-12545643-B2 3,5-diaminobenzoic acid compound, and Pin1 inhibitor and therapeutic agent for inflammatory diseases using same PIN1, FKBP1A, FKBP2 DYRK1A 1673/4885ALDH1A1 3496/4885MAPT 835/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE DYRK1A 3235/4885ALDH1A1 4006/4885MAPT 261/4885

“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.