SCHEMBL9890316

SCHEMBL9890316

c1cc(-n2c3cnccc3c3ccncc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3cnccc3c3ccncc32)cccc14

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ROCK2 O75116 5/20 0.32
IDO1 P14902 3/20 0.32
NFATC1 O95644 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9890319 0.96 IDO1 (0.34) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890323 0.95 MAOA (0.36) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890321 0.90 PDPK1 (0.34) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890312 0.89 PDPK1 (0.33) PDPK1TGFBR1IKBKETBK1ROCK2
SCHEMBL9890327 0.89 MAOA (0.36) ROCK2MAOAMAOBACHE
SCHEMBL5028378 0.88 CDK4 (0.32) PDPK1TGFBR1IKBKETBK1
SCHEMBL9890311 0.88 MAOA (0.43) IDO1MAOAMAOBACHE
SCHEMBL12925814 0.85 KDM4E (0.33) IDO1MAOAMAOBACHE
SCHEMBL15631635 0.83 MAOA (0.36) ROCK2IDO1MAOAMAOBACHE
SCHEMBL18381844 0.82 MAOA (0.35) ROCK2IDO1MAOAMAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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 (2 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDPK1 1440/4885TGFBR1 3043/4885IKBKE 3016/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDPK1 1440/4885TGFBR1 3043/4885IKBKE 3016/4885

“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.