SCHEMBL10074714

SCHEMBL10074714

N#CC(C#N)=C1c2ccccc2-c2nc3cc(C(F)(F)F)ccc3nc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
DHFR P00374 16/20 0.37
TYMS P04818 4/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL10074515 0.90 KDM4E (0.41) KDM4EDHODH
SCHEMBL10074507 0.90 KDM4E (0.41) KDM4EDHODH
SCHEMBL10074512 0.88 PIK3R1 (0.42) KDM4EDHODH
SCHEMBL10074518 0.87 ALDH1A1 (0.39) KDM4EDHFRMEN1KMT2A
SCHEMBL10074513 0.85 TOP1 (0.43) KDM4EHTTRXFP1DHODH
SCHEMBL1755017 0.85 KDM4E (0.44) KDM4EMEN1PKMKMT2ADHODH
SCHEMBL10074712 0.85 PIK3R1 (0.36) KDM4EMEN1PKMHTTRAB9A
SCHEMBL1755014 0.85 KDM4E (0.44) KDM4EMEN1PKMKMT2ADHODH
SCHEMBL10050465 0.84 KDM4E (0.46) KDM4EDHFRTYMSDHODH
SCHEMBL1754982 0.83 ALDH1A1 (0.38) KDM4EMEN1PKMHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 KDM4E 573/4885DHFR 3591/4885TYMS 2647/4885

“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.