SCHEMBL991449

SCHEMBL991449

c1ncc(-c2ccc3nc[nH]c3c2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.58
QPCTL Q9NXS2 5/20 0.58
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
IDO1 P14902 5/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
PRKCI P41743 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAD52 P43351 1/20 0.47
CYP3A4 P08684 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL991450 0.86 CYP11B1 (0.51) QPCTQPCTLCYP11B1CYP11B2IDO1
SCHEMBL8634290 0.81 QPCT (0.68) QPCTQPCTLSMN1; SMN2PRKCIMAPT
SCHEMBL30718016 0.77 CYP11B1 (0.53) CYP11B1CYP11B2IDO1POLBSMN1; SMN2
SCHEMBL990029 0.77 CYP11B1 (0.49) CYP11B1CYP11B2IDO1POLBSMN1; SMN2
SCHEMBL2457533 0.76 QPCT (0.54) QPCTQPCTLSMN1; SMN2PRKCIMAPT
SCHEMBL38665709 0.75 QPCT (0.66) QPCTQPCTLSMN1; SMN2PRKCIMAPT
SCHEMBL7021141 0.75 QPCT (0.66) QPCTQPCTLSMN1; SMN2PRKCIMAPT
SCHEMBL989969 0.74 ASIC3 (0.51) CYP11B1CYP11B2IDO1POLBSMN1; SMN2
SCHEMBL2474515 0.74 QPCT (0.60) QPCTQPCTLSMN1; SMN2PRKCIMAPT
SCHEMBL26265591 0.74 CYP11B1 (0.85) CYP11B1CYP11B2IDO1POLBSMN1; 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 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 QPCT 3729/4885QPCTL 3953/4885CYP11B1 2916/4885

“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.