SCHEMBL991450

SCHEMBL991450

c1ncc(-c2ccc3[nH]cnc3c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
IDO1 P14902 7/20 0.49
ASIC3 Q9UHC3 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 3/20 0.47
HPGDS O60760 1/20 0.44
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL991449 0.86 QPCT (0.58) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL20434139 0.83 ASIC3 (0.41) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL20434036 0.82 IDO1 (0.40) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL20434085 0.81 QPCT (0.39) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL31143361 0.81 MAPT (0.50) SMN1; SMN2CYP3A4MAPTQPCTQPCTL
SCHEMBL6008269 0.81 MAPT (0.50) SMN1; SMN2CYP3A4MAPTQPCTQPCTL
SCHEMBL20434096 0.78 IDO1 (0.38) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL30718016 0.77 CYP11B1 (0.53) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL23123086 0.77 QPCT (0.51) MAPTQPCTQPCTL
SCHEMBL2455532 0.76 QPCT (0.40) SMN1; SMN2MAPTQPCTQPCTL

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 CYP11B1 2916/4885CYP11B2 3389/4885IDO1 3815/4885

“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.