SCHEMBL9890194

SCHEMBL9890194

c1cc2c(cn1)c1ccncc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7ccncc7c7ccncc76)ccc5oc43)c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL13529136 1.00 CDK4 (0.33) CDK4CDK6MAOAMAOBACHE
SCHEMBL9890193 0.95 CDK4 (0.33) CDK4CDK6AHR
SCHEMBL9890198 0.95 AHR (0.33) MAOAMAOBACHEAHR
SCHEMBL13529149 0.93 CDK4 (0.31) CDK4CDK6
SCHEMBL9890454 0.93 CDK4 (0.31) CDK4CDK6
SCHEMBL9890188 0.91 KDM4E (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL9890191 0.91 MAOA (0.42) CDK4CDK6MAOAMAOBACHE
SCHEMBL9890124 0.89 CDK4 (0.34) CDK4CDK6MAOAMAOBACHE
SCHEMBL9890126 0.89 CDK4 (0.34) CDK4CDK6MAOAMAOBACHE
SCHEMBL9890400 0.88 CDK4 (0.33) CDK4CDK6MAOAMAOBACHE

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 6 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-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 CDK4 827/4885CDK6 1509/4885MAOA 455/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 CDK4 827/4885CDK6 1509/4885MAOA 455/4885

“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.