Sugi Predict

Sugi Predict / Compounds / SCHEMBL796065

SCHEMBL796065

SCHEMBL796065

[c]1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.42
▸ NR1H3 Q13133 4/20 0.42
▸ BTK Q06187 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.39
▸ MTOR P42345 1/20 0.39
▸ ADK P55263 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SCN4A P35499 1/20 0.35

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
SCHEMBL4051736 0.96 NR1H2 (0.39) NR1H2NR1H3BTKCYP1A2MEN1
SCHEMBL4048514 0.86 GP6 (0.40) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4044627 0.82 MKNK1 (0.41) CYP1A2
SCHEMBL4044205 0.81 RAB9A (0.57) NR1H2NR1H3CYP1A2MEN1KMT2A
SCHEMBL4048180 0.80 TGFBR1 (0.47) CYP1A2RAB9APOLBNPC1
SCHEMBL11463047 0.80 LMNA (0.42) KDM4EALDH1A1NPY5RLMNA
SCHEMBL4052921 0.78 DGAT1 (0.41) NR1H2NR1H3CYP1A2MEN1KMT2A
SCHEMBL4050678 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL4046187 0.78 NPC1 (0.38) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL11467256 0.78 ALPL (0.44) NR1H2NR1H3KDM4EALDH1A1DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 — — EP claimed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 — — EP claimed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO claimed
US-11331314-B2 Amine substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 — — US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 — — US disclosed
US-11173151-B2 Substituted triazole derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-11-16 — — US disclosed
EP-3700913-B1 PRODRUGS OF SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-11-10 — — EP disclosed
US-11149023-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-19 — — US disclosed
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US disclosed
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-17 — — US disclosed
CN-113121504-A Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2021-07-16 — — CN disclosed
CN-1081437-A Antiulcer pyridine oxygen derivative, their preparation method and purposes SANKYO CO (JP) 1994-02-02 — — CN disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 — — EP disclosed
EP-0215739-B1 SYNTHESIS OF BETA-LACTAM COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-01 — — EP disclosed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 — — US disclosed
US-4962196-A (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates CIBA-GEIGY CORPORATION (US) 1990-10-09 — — US disclosed
EP-0215739-A1 Synthesis of beta-lactam compounds CIBA-GEIGY AG (CH) 1987-03-25 — — EP disclosed
EP-0201459-A1 Acylaminomethyl-penem compounds, their preparation and pharmaceutical formulations containing them CIBA-GEIGY AG (CH) 1986-11-12 — — EP disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 — — US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 — — 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-11331314-B2 Amine substituted triazole derivatives and uses thereof GLS, TNNI3, NAT1 NR1H2 556/4885NR1H3 440/4885BTK 813/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 NR1H2 201/4885NR1H3 162/4885BTK 996/4885
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 NR1H2 201/4885NR1H3 162/4885BTK 996/4885
US-11149023-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 NR1H2 201/4885NR1H3 162/4885BTK 996/4885
US-11173151-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 NR1H2 201/4885NR1H3 162/4885BTK 996/4885
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK NR1H2 1588/4885NR1H3 1620/4885BTK 2381/4885

“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.