SCHEMBL18565017

SCHEMBL18565017

CN(c1ccccc1)c1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.34
DHFR P00374 1/20 0.33
ALOX5 P09917 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
PDE5A O76074 2/20 0.32
HTR3A P46098 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18566259 0.92 MAPK9 (0.32) ITKALOX5HPGDRAB9AALDH1A1
SCHEMBL18565025 0.92 MAPK9 (0.32) ITKALOX5HPGDRAB9AALDH1A1
SCHEMBL18564999 0.92 ITK (0.36) ITKDHFRALOX5HPGDRAB9A
SCHEMBL18564695 0.91 KDM4E (0.40) ITKDHFRALOX5HPGDALDH1A1
SCHEMBL18564787 0.89 PDE5A (0.36) ITKDHFRALOX5HPGDALDH1A1
SCHEMBL279396 0.89 KDM4E (0.40) ITKDHFRALOX5HPGDRAB9A
SCHEMBL18564932 0.87 PDE5A (0.34) ITKDHFRALDH1A1PDE5AKDM4E
SCHEMBL18565005 0.86 MAPK10 (0.34) ITKALOX5HPGDRAB9AALDH1A1
SCHEMBL18565000 0.86 MAPK10 (0.34) ITKALOX5HPGDRAB9AALDH1A1
SCHEMBL18565027 0.86 ITK (0.36) ITKDHFRHPGDRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 ITK 1200/4885DHFR 4856/4885ALOX5 888/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 ITK 1200/4885DHFR 4856/4885ALOX5 888/4885

“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.