SCHEMBL10050416

SCHEMBL10050416

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(-c4ccc(F)c(C(F)(F)F)c4)ccc3nc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
MPL P40238 3/20 0.39
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33
KMO O15229 2/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
AR P10275 4/20 0.31
F2RL3 Q96RI0 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
DHFR P00374 1/20 0.31
TYMS P04818 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
SCHEMBL10050413 0.85 PIK3R1 (0.39) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL10050414 0.85 PIK3R1 (0.39) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL10050430 0.84 PIK3R1 (0.36) PIK3R1PIK3CAMPLMAPTRAB9A
SCHEMBL10075006 0.83 PIK3R1 (0.42) PIK3R1PIK3CAMPLMAPTRAB9A
SCHEMBL10050433 0.80 KDM4E (0.48) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL10050427 0.80 TP53 (0.37) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL12226939 0.79 MPL (0.37) MPLKMOARF2RL3
SCHEMBL10050415 0.78 PIK3R1 (0.42) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050417 0.76 MAOB (0.38) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL10050449 0.76 PIK3R1 (0.39) PIK3R1PIK3CAMPLBACE1KMO

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 PIK3R1 4703/4885PIK3CA 4322/4885MPL 3161/4885

“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.