SCHEMBL13367451

SCHEMBL13367451

CN(c1ccc2ccccc2c1)c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DOT1L Q8TEK3 1/20 0.38
POLB P06746 1/20 0.38
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL13557869 0.85 DOT1L (0.56) MEN1NPC1TP53MAPTRAB9A
SCHEMBL13557872 0.83 IGF1R (0.50) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL13367447 0.82 DOT1L (0.44) MEN1MAPTKMT2ASMN1; SMN2DOT1L
SCHEMBL13338452 0.81 HTR6 (0.40) MEN1NPC1USP2TP53MAPT
SCHEMBL31098959 0.80 POLB (0.44) MEN1KMT2APOLBHDAC6KDM4C
SCHEMBL10951791 0.80 POLB (0.44) MEN1KMT2APOLBHDAC6KDM4C
SCHEMBL13557879 0.79 KDM4C (0.48) MAPTDOT1LKDM4CCYP1A2GRIA1
SCHEMBL13367497 0.78 HDAC6 (0.42) NPC1USP2TP53MAPTRAB9A
SCHEMBL5441435 0.75 HTT (0.49) NPC1RAB9ACYP1A2ALDH1A1HTT
SCHEMBL13557862 0.75 NCF1 (0.54) NPC1TP53MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 MEN1 3828/4885NPC1 1433/4885USP2 4266/4885

“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.