SCHEMBL989970

SCHEMBL989970

Nc1nc2cc(-c3cnc[nH]3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IDO1 P14902 7/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.42
MASP2 O00187 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NUDT1 P36639 1/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 1/20 0.42
FABP6 P51161 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
CYP2E1 P05181 1/20 0.39

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
SCHEMBL989969 0.88 ASIC3 (0.51) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL16848368 0.76 ALDH1A1 (0.46) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL16848371 0.74 JAK2 (0.50) CYP3A4MASP2MEN1ALDH1A1NUDT1
SCHEMBL991450 0.74 CYP11B1 (0.51) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL14395420 0.73 ALDH1A1 (0.52) CYP11B1CYP11B2MAPTSMN1; SMN2CYP3A4
SCHEMBL26265591 0.73 CYP11B1 (0.85) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL3827667 0.72 ALDH1A1 (0.58) MAPTSMN1; SMN2MASP2MEN1ALDH1A1
SCHEMBL5679606 0.71 ALDH1A1 (0.47) MAPTIDO1SMN1; SMN2MASP2MEN1
SCHEMBL5679426 0.71 FABP6 (0.53) MAPTSMN1; SMN2MASP2MEN1ALDH1A1
SCHEMBL5679783 0.71 BACE1 (0.59) MAPTSMN1; SMN2MASP2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 ASIC3 2970/4885CYP11B1 2916/4885CYP11B2 3389/4885

“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.