SCHEMBL3348845

SCHEMBL3348845

Brc1ccc2c(c1)CNN2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.42
ASIC3 Q9UHC3 1/20 0.42
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
BRD4 O60885 1/20 0.41
ADRA2A P08913 4/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
TDP2 O95551 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL16595830 0.84 AHR (0.47) PNMTASIC3CMA1AHRADRA2A
SCHEMBL15373652 0.77 PNMT (0.45) PNMTASIC3CMA1AHRBRD4
SCHEMBL13774153 0.74 HTR5A (0.41) PARP10PARP11
SCHEMBL290721 0.71 PNMT (0.48) PNMTASIC3CMA1AHRBRD4
SCHEMBL23328978 0.69 HPGD (0.38)
SCHEMBL10289251 0.69 ALDH1A1 (0.36) ADRA2AADRA2BADRA2C
SCHEMBL17858325 0.69
SCHEMBL3141361 0.69 PNMT (0.56) PNMTASIC3CMA1AHRBRD4
SCHEMBL14319287 0.69 ALDH1A1 (0.37)
SCHEMBL30855391 0.68 BRD4 (0.56) PNMTASIC3CMA1AHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 US disclosed
EP-1633750-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES Eisai Co., Ltd. (JP) 2006-03-15 EP disclosed
WO-2004078757-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAIDONINES EISAI CO., LTD. (JP) 2004-09-16 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 (1 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-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 PNMT 145/4885ASIC3 4561/4885CMA1 2308/4885

“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.