SCHEMBL10094657

SCHEMBL10094657

CCc1nc2ccccc2n1-c1ncccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.46
PKM P14618 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.43
MAPK1 P28482 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
SCHEMBL10094717 0.85 NPSR1 (0.45) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL10094363 0.83 TSHR (0.46) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL29463926 0.81 NPSR1 (0.51) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL19477820 0.81 NPSR1 (0.51) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL10094627 0.81 NPSR1 (0.51) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL10094632 0.79 KMT2A (0.69) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL8417967 0.79 GRM2 (0.50) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL10094695 0.78 NPSR1 (0.49) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL19486457 0.78 NPSR1 (0.49) NPSR1POLBMEN1KMT2AALDH1A1
SCHEMBL10094747 0.77 MAPK1 (0.52) NPSR1POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NPSR1 2052/4885POLB 4819/4885MEN1 2152/4885

“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.