SCHEMBL10050433

SCHEMBL10050433

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(C(F)(F)F)ccc3nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
DHFR P00374 14/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMS P04818 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL10050414 0.90 PIK3R1 (0.39) KDM4EDHFRMAPTRAB9ASMN1; SMN2
SCHEMBL10050413 0.90 PIK3R1 (0.39) KDM4EDHFRMAPTRAB9ASMN1; SMN2
SCHEMBL10050415 0.88 PIK3R1 (0.42) KDM4EMAPK8MAPK9MAPK10PIK3R1
SCHEMBL10050418 0.87 MAPT (0.39) KDM4EDHFRMAPTRAB9ASMN1; SMN2
SCHEMBL10050430 0.85 PIK3R1 (0.36) MAPTRAB9ASMN1; SMN2MAPK8MAPK9
SCHEMBL10050406 0.81 ADORA2A (0.45) KDM4EMAPTMAPK9
SCHEMBL10050405 0.81 RORB (0.35) SMN1; SMN2
SCHEMBL10050416 0.80 PIK3R1 (0.42) DHFRMAPTRAB9ASMN1; SMN2TYMS
SCHEMBL10074361 0.80 KDM4E (0.48) KDM4EDHFRMAPTRAB9ASMN1; SMN2
SCHEMBL10050427 0.78 TP53 (0.37) MAPTRAB9ASMN1; SMN2MAPK8MAPK9

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 3591/4885MAPT 4038/4885

“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.