SCHEMBL21099476

SCHEMBL21099476

Nc1ncccc1-c1cc(Cc2cccc(OCc3cccc(F)c3)n2)no1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
GRM5 P41594 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41
MAOB P27338 4/20 0.37
CCNT1 O60563 2/20 0.37
IGF1R P08069 1/20 0.36
MGMT P16455 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MPO P05164 1/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 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
SCHEMBL30025206 1.00 CYP1A2 (0.41) CYP1A2GRM5SGMS2MAOBCCNT1
SCHEMBL30026049 0.91 KDM4E (0.35) CYP1A2GRM5SGMS2
SCHEMBL21099097 0.91 KDM4E (0.35) CYP1A2GRM5SGMS2
SCHEMBL30025897 0.86 SGMS2 (0.39) CYP1A2GRM5SGMS2MAOBMGMT
SCHEMBL21054406 0.86 SGMS2 (0.39) CYP1A2GRM5SGMS2MAOBMGMT
SCHEMBL21054511 0.86 GRM5 (0.39) CYP1A2GRM5SGMS2MAOBPTGS1
SCHEMBL30026397 0.86 GRM5 (0.39) CYP1A2GRM5SGMS2MAOBPTGS1
SCHEMBL21099124 0.85 HDAC6 (0.39) SGMS2MAOBIGF1RMGMTMPO
SCHEMBL30025468 0.85 HDAC6 (0.39) SGMS2MAOBIGF1RMGMTMPO
SCHEMBL511003 0.84 MAOB (0.49) GRM5SGMS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2025-03-27 US disclosed
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-11-12 US disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
CN-111698989-B Heterocyclic substituted pyridine derivatives as antifungal agents 安普利克斯制药公司 2023-08-01 CN 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-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents AMPLYX PHARMACEUTICALS, INC. (US) 2022-11-29 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-2020247804-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
CN-111698989-A Heterocyclic substituted pyridine derivative antifungal agent 安普利克斯制药公司 2020-09-22 CN 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 (5 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-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CYP1A2 35/4885GRM5 4395/4885SGMS2 2885/4885
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CYP1A2 35/4885GRM5 4395/4885SGMS2 2885/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CYP1A2 35/4885GRM5 4395/4885SGMS2 2885/4885
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 CYP1A2 35/4885GRM5 4395/4885SGMS2 2885/4885
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 CYP1A2 35/4885GRM5 4395/4885SGMS2 2885/4885

“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.