SCHEMBL3217871

SCHEMBL3217871

N=C(Nc1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
SCD O00767 5/20 0.61
MAPT P10636 4/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
ADORA1 P30542 1/20 0.58
DYRK1A Q13627 1/20 0.58
NFKB1 P19838 4/20 0.57
NFKB2 Q00653 4/20 0.57
RELA Q04206 4/20 0.57
CSNK1D P48730 3/20 0.57
POLB P06746 2/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL22468026 0.88 RAB9A (0.61) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13490138 0.84 RAB9A (0.57) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL29728428 0.83 MAPT (0.71) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL852198 0.83 MAPT (0.71) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5607831 0.83 MAPT (0.65) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3053529 0.81 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL22468006 0.79 NPC1 (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5211562 0.78 ADORA1 (0.73) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL1580942 0.78 NPC1 (0.73) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL22468021 0.78 KMT2A (0.54) RAB9ANPC1KMT2AMEN1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 US disclosed
EP-2139907-B1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2013-08-14 EP disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
EP-2139907-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2010-01-06 EP disclosed
WO-2008098851-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (CH) 2008-08-21 WO 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-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX LDHA, LDHB, NRP1 RAB9A 4593/4885NPC1 3478/4885KMT2A 3577/4885

“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.