Sugi Predict

Sugi Predict / Compounds / SCHEMBL968702

SCHEMBL968702

SCHEMBL968702

NNc1ncc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ SYK P43405 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ BCL6 P41182 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL29572771 1.00 ALDH1A1 (0.35) ALDH1A1MEN1MAPTPKMRAB9A
SCHEMBL21598422 0.78 GAA (0.35) MAPTKMT2APIK3CA
SCHEMBL15008177 0.78 AGBL2 (0.41) ALDH1A1MAPTPIK3CA
SCHEMBL29071672 0.78 NOS3 (0.39) ALDH1A1MAPTAURKA
SCHEMBL15254074 0.78 KMT2A (0.39) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL2698210 0.78 DHODH (0.36) MEN1KMT2APIK3CASYK
SCHEMBL2696723 0.78 VRK1 (0.38) ALDH1A1MEN1MAPTPKMRAB9A
SCHEMBL14737329 0.77 APP (0.41) ALDH1A1AURKAPIK3CAMAPK14DYRK1A
Hydrochloric Acid SCHEMBL28720435 0.76 APP (0.40) ALDH1A1AURKAPIK3CAMAPK14
Hydrochloric Acid SCHEMBL27680795 0.76 APP (0.40) ALDH1A1AURKAPIK3CAMAPK14

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746963-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 — — EP disclosed
WO-2025017045-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 — — WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 — — EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 — — WO disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 — — US disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 — — US disclosed
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 — — US disclosed
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 — — US disclosed
EP-4058446-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 — — EP disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 — — US disclosed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 — — US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 — — US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 — — US disclosed
EP-2118100-A1 NEW 3- ([1,2,4] TRIAZOLO [4,3-A] PYRIDIN-7-YL)BENZAMIDE DERIVATIVES Almirall, S.A. (ES) 2009-11-18 — — EP disclosed
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 — — WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 — — WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 — — WO disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 — — WO disclosed
US-7220863-B2 Process for preparing 2-aminopyridine derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-22 — — US disclosed
US-20060047124-A1 Process for preparing 2-aminopyridine derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-02 — — US 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 (6 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C ALDH1A1 127/4885MEN1 1111/4885MAPT 3117/4885
US-20060047124-A1 Process for preparing 2-aminopyridine derivatives KCND2, KCNJ2, KCNJ5 ALDH1A1 1298/4885MEN1 2500/4885MAPT 1100/4885
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAMTS1 ALDH1A1 2009/4885MEN1 2636/4885MAPT 4378/4885
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES MAP4K2, MAP3K7, MAPK7 ALDH1A1 1882/4885MEN1 4584/4885MAPT 1001/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885MAPT 4174/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885MAPT 4174/4885

“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.