SCHEMBL4894034

SCHEMBL4894034

Cc1ccc2n[c]n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
IKBKB O14920 2/20 0.36
NQO2 P16083 1/20 0.36
PDE2A O00408 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP1A2 P05177 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 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
SCHEMBL5982296 0.84 FGFR1 (0.39) TLR8NQO2PDE2APDE3BPDE3A
SCHEMBL27782511 0.81 PPARG (0.39) MAPTALDH1A1HRH4KDM4EHTT
SCHEMBL2157981 0.80 CYP11B1 (0.39) PDE2AALDH1A1KDM4EKMT2AMEN1
SCHEMBL7814408 0.78 NPM1 (0.35) PDE2AMAPTALDH1A1RAB9AMAPK1
SCHEMBL7815237 0.78 ESR1 (0.37) MAPTALDH1A1KDM4EHTTKMT2A
SCHEMBL5982654 0.78 PTPN1 (0.42) PDE2AMAPTALDH1A1GAAHRH4
SCHEMBL27782477 0.78 ALDH1A1 (0.46) ALDH1A1GAAHRH4RAB9AHTT
SCHEMBL7815337 0.76 ALDH1A1 (0.43) NQO2PDE2APDE3BPDE3AMAPT
SCHEMBL7811025 0.76 SCN10A (0.35) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL7818322 0.76 MAP3K14 (0.38) MAPTALDH1A1LMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368064-B 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2022-04-26 CN disclosed
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-10-24 US disclosed
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-13 US disclosed
US-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2018-10-11 US disclosed
EP-3385254-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE/ACARICIDE HAVING SAID DERIVATIVE AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2018-10-10 EP disclosed
CN-108368064-A 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2018-08-03 CN disclosed
CN-102802731-A Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV 2012-11-28 CN disclosed
CN-102802730-A Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV 2012-11-28 CN disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5565469-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1996-10-15 US disclosed
CN-1113235-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 1995-12-13 CN disclosed
EP-0682021-A1 Benzimidazoles, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1995-11-15 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP 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-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 TLR8 3528/4885IKBKB 3946/4885NQO2 921/4885
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 TLR8 3528/4885IKBKB 3946/4885NQO2 921/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 TLR8 3335/4885IKBKB 2544/4885NQO2 547/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 TLR8 3528/4885IKBKB 3946/4885NQO2 921/4885
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 TLR8 3528/4885IKBKB 3946/4885NQO2 921/4885

“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.