SCHEMBL22744608

SCHEMBL22744608

CCCC1CNCc2cc3ncccc3cc2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ AIMP2 Q13155 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CCR8 P51685 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ PRKDC P78527 2/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL29442649 1.00 CHKA (0.34) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL29442696 0.91 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL22744560 0.91 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL24650152 0.91 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL29442769 0.91 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL24650159 0.91 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL24650178 0.86 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
Hydrochloric Acid SCHEMBL29442768 0.85 CHKA (0.35) CHKAPDGFRBPDGFRAAIMP2ALDH1A1
SCHEMBL24650075 0.82 NTRK1 (0.37) CHKAPDGFRBPDGFRAALDH1A1SLC6A2
SCHEMBL29442695 0.82 NTRK1 (0.37) CHKAPDGFRBPDGFRAALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 — — US disclosed
WO-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 — — 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-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 CHKA 4092/4885PDGFRB 3705/4885PDGFRA 4102/4885

“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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