SCHEMBL10075004

SCHEMBL10075004

N#C/N=C1\c2ccccc2-c2nc3cc(-c4ccc(C#N)cc4)ccc3nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
PDK2 Q15119 1/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
USP8 P40818 5/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10074697 0.84 PIK3R1 (0.39) MAOBMAPTRAB9ASMN1; SMN2PIK3R1
SCHEMBL10050417 0.84 MAOB (0.38) MAOBPDK2IDO1MAPTRAB9A
SCHEMBL10074696 0.84 PIK3R1 (0.39) MAOBMAPTRAB9ASMN1; SMN2PIK3R1
SCHEMBL10075463 0.84 IDO1 (0.43) MAOBIDO1RAB9AUSP8AKT1
SCHEMBL10074701 0.80 PIK3R1 (0.52) MAPTRAB9APIK3R1PIK3CAMAPK8
SCHEMBL10075006 0.79 PIK3R1 (0.42) MAPTRAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL10074718 0.79 MAPT (0.40) MAPTRAB9ASMN1; SMN2PIK3R1PIK3CA
SCHEMBL10074360 0.78 USP8 (0.42) PDK2IDO1USP8MAP4K4GABRA1
SCHEMBL10074511 0.78 PDK2 (0.43) MAOBPDK2IDO1MAPTRAB9A
SCHEMBL10074700 0.76 ATR (0.44) MAOBIDO1USP8GABRA1GABRG2

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 MAOB 1019/4885PDK2 2339/4885IDO1 2845/4885

“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.