SCHEMBL6760652

SCHEMBL6760652

COc1ccc(CCCCn2ccnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.45
ERBB2 P04626 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43

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
Hydrochloric Acid SCHEMBL6762684 0.99 MEN1 (0.45) CALM1ERBB2MINK1IGF1RALOX15
SCHEMBL6761713 0.91 CALM1 (0.41) CALM1ERBB2MINK1IGF1RALOX15
SCHEMBL26757925 0.85 ERBB2 (0.43) ERBB2MINK1CYP1A2CYP3A4CYP2C9
SCHEMBL6758957 0.85 ERBB2 (0.45) ERBB2MINK1TP53CYP1A2CYP3A4
SCHEMBL26316556 0.83 HRH1 (0.47) ERBB2MINK1IGF1RALOX15SIGMAR1
SCHEMBL24112029 0.82 ERBB2 (0.41) ERBB2MINK1MAPTORAI1
SCHEMBL22397927 0.82 MEN1 (0.55) TP53RAB9ATDP1MEN1LMNA
SCHEMBL26757936 0.81 ERBB2 (0.43) ERBB2MINK1
SCHEMBL22398051 0.81 SLC6A3 (0.40) ERBB2MINK1TP53CYP1A2CYP3A4
SCHEMBL22398040 0.80 HMOX1 (0.55) ERBB2MINK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 CN claimed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 CN claimed
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2025-04-29 US disclosed
EP-3704111-B1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2024-10-09 EP disclosed
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 CN disclosed
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 CN disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 CN disclosed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 CN disclosed
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 CN disclosed
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 EP disclosed
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
US-6743924-B2 EFFICIENT, HIGH YEILD SYNTHESIS OF TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-01 US disclosed
EP-1310491-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-1,2,3-TRIAZOLE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-10 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 CALM1 1994/4885ERBB2 2558/4885MINK1 1781/4885
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives ABL1, ROS1, ADH1A CALM1 1562/4885ERBB2 78/4885MINK1 359/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 CALM1 1500/4885ERBB2 77/4885MINK1 330/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 CALM1 1994/4885ERBB2 2558/4885MINK1 1781/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 CALM1 1951/4885ERBB2 2443/4885MINK1 1986/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 CALM1 1951/4885ERBB2 2443/4885MINK1 1986/4885

“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.