SCHEMBL989969

SCHEMBL989969

Nc1nc2ccc(-c3cnc[nH]3)cc2[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
PLAU P00749 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
BACE1 P56817 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F7 P08709 1/20 0.48
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IDO1 P14902 5/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL989970 0.88 ASIC3 (0.51) ASIC3CYP11B1CYP11B2F2F10
SCHEMBL991449 0.74 QPCT (0.58) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL26265591 0.73 CYP11B1 (0.85) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL11712219 0.72 ALDH1A1 (0.58) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL990029 0.72 CYP11B1 (0.49) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL29723979 0.72 EGFR (0.53) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL26260218 0.71 CYP11B1 (0.82) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL24427562 0.71 PDPK1 (0.58) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL30718016 0.69 CYP11B1 (0.53) ASIC3CYP11B1CYP11B2MAPTNPSR1
SCHEMBL725354 0.69 PLAU (0.66) PLAUHTR3EHTR3BHTR3ABACE1

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.