SCHEMBL15315966

SCHEMBL15315966

Cc1ccc(-n2c(-c3ccccc3)nc3cnccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ RPS6KA5 O75582 1/20 0.53
▸ AOC3 Q16853 6/20 0.50
▸ MDM2 Q00987 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2602376 0.93 AOC3 (0.54) ATMALDH1A1RPS6KA5AOC3MDM2
SCHEMBL10247453 0.91 ATM (0.65) ATMALDH1A1ESR1ESR2RPS6KA5
SCHEMBL15172071 0.87 ATM (0.57) ATMALDH1A1ESR1ESR2RPS6KA5
SCHEMBL15318306 0.84 ATM (0.53) ATMALDH1A1ESR1ESR2RPS6KA5
SCHEMBL16521582 0.83 ESR1 (0.74) ALDH1A1ESR1ESR2HTTNCOA1
SCHEMBL15172064 0.83 ATM (0.52) ATMALDH1A1ESR1ESR2RPS6KA5
SCHEMBL15172069 0.83 ATM (0.52) ATMALDH1A1ESR1ESR2RPS6KA5
SCHEMBL3439928 0.82 ATM (0.52) ATMESR1ESR2RPS6KA5AOC3
SCHEMBL3439930 0.82 PTGS2 (0.49) ALDH1A1AOC3KCNH2
SCHEMBL22129134 0.82 RPS6KA5 (0.55) ATMALDH1A1ESR1ESR2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 — — 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 (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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L ATM 2481/4885ALDH1A1 2264/4885ESR1 524/4885

“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.

Send feedback