SCHEMBL21099102

SCHEMBL21099102

Nc1ncccc1-c1cc(Cc2ccnc(OCc3ccccc3F)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
GPR84 Q9NQS5 3/20 0.36
CDC7 O00311 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
GSK3B P49841 1/20 0.35
AURKB Q96GD4 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL30025913 1.00 HDAC6 (0.43) HDAC6GPR84CDC7JAK2ROCK2
SCHEMBL30026460 0.88 HDAC6 (0.36) HDAC6GPR84CDC7JAK2ROCK2
SCHEMBL21054928 0.88 HDAC6 (0.36) HDAC6GPR84CDC7JAK2ROCK2
SCHEMBL30025928 0.87 RAB9A (0.42) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL21099099 0.87 RAB9A (0.42) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL509569 0.86 MAOB (0.46) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL21099124 0.85 HDAC6 (0.39) HDAC6GPR84RAB9AALDH1A1L3MBTL1
SCHEMBL30025468 0.85 HDAC6 (0.39) HDAC6GPR84RAB9AALDH1A1L3MBTL1
SCHEMBL21054406 0.85 SGMS2 (0.39) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL30025897 0.85 SGMS2 (0.39) CDC7JAK2ROCK2MAP4K4PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
WO-2020247804-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
WO-2019113542-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2019-06-13 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-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 HDAC6 56/4885GPR84 3648/4885CDC7 202/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 HDAC6 56/4885GPR84 3648/4885CDC7 202/4885

“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.