SCHEMBL2749688

SCHEMBL2749688

Oc1ccc(CCCCn2ccnn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
ESR1 P03372 3/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43
HSPE1 P61604 1/20 0.43
HIF1A Q16665 1/20 0.43
TST Q16762 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
SCHEMBL4557447 0.95 CYP19A1 (0.46) CYP19A1ESR1ADRA2AADORA3TACR2
SCHEMBL22398206 0.84 CYP19A1 (0.41) CYP19A1ERBB2MINK1HMOX1
SCHEMBL22398040 0.84 HMOX1 (0.55) CYP19A1ERBB2MINK1HMOX1
SCHEMBL26316556 0.84 HRH1 (0.47) CYP19A1ERBB2MINK1IGF1RALOX15
SCHEMBL4856182 0.84 MAOB (0.46) CYP19A1ERBB2MINK1HMOX1
SCHEMBL6760653 0.83 CYP19A1 (0.61) CYP19A1MGLL
SCHEMBL30168324 0.82 CYP19A1 (0.59) CYP19A1MGLL
SCHEMBL6760652 0.80 CALM1 (0.45) LMNATP53CYP3A4HIF1AERBB2
SCHEMBL22398032 0.80 ERBB2 (0.45) CYP19A1ERBB2MINK1HMOX1
SCHEMBL5563256 0.80 HMOX1 (0.38) CYP19A1HTR2CERBB2MINK1HMOX1

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 87 patents — showing the first 20. 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-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US 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-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
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
CN-1444582-A Heterocyclic compound, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-24 CN 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
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 CYP19A1 493/4885ESR1 1343/4885ADRA2A 1849/4885
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 CYP19A1 1319/4885ESR1 2620/4885ADRA2A 4663/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 CYP19A1 657/4885ESR1 1862/4885ADRA2A 1978/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 CYP19A1 686/4885ESR1 4097/4885ADRA2A 1666/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 CYP19A1 1319/4885ESR1 2620/4885ADRA2A 4663/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 CYP19A1 1109/4885ESR1 2652/4885ADRA2A 4645/4885

“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.