SCHEMBL9890116

SCHEMBL9890116

c1cnc2c(c1)c1ccncc1n2-c1ccc2oc3cc4c(cc3c2c1)oc1ccc(-n2c3cnccc3c3cccnc32)cc14

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
NPC1 O15118 3/20 0.33
CDK4 P11802 3/20 0.33
CDK6 Q00534 3/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDPK1 O15530 1/20 0.32
TGFBR1 P36897 1/20 0.32
IKBKE Q14164 1/20 0.32

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
SCHEMBL9890378 0.96 CDK4 (0.33) MAPTNPC1CDK4CDK6KDM4E
SCHEMBL9890570 0.93 CDK4 (0.33) MAPTNPC1CDK4CDK6KDM4E
SCHEMBL9890192 0.92 CDK4 (0.33) MAPTNPC1CDK4CDK6KDM4E
SCHEMBL9890575 0.92 CDK4 (0.33) MAPTNPC1CDK4CDK6KDM4E
SCHEMBL9890119 0.90 DDB1 (0.37) MAPTNPC1KDM4EHPGDHSD17B10
SCHEMBL9890445 0.90 CDK4 (0.31) MAPTNPC1CDK4CDK6KDM4E
SCHEMBL9890133 0.89 NPC1 (0.30) MAPTNPC1
SCHEMBL9890129 0.87 MAPT (0.39) MAPTNPC1KDM4EHPGDHSD17B10
SCHEMBL9890379 0.87 DDB1 (0.36) MAPTNPC1KDM4EHPGDHSD17B10
SCHEMBL13529148 0.86 CDK4 (0.31) MAPTNPC1CDK4CDK6KDM4E

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 MAPT 1303/4885NPC1 2467/4885CDK4 827/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 MAPT 1303/4885NPC1 2467/4885CDK4 827/4885

“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.