SCHEMBL2301489

SCHEMBL2301489

C=CCNC(=O)C1CNC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2981069 0.85 KMT2A (0.61) KMT2ANPSR1TSHRSMN1; SMN2MAPT
SCHEMBL9906306 0.85 KMT2A (0.61) KMT2ANPSR1TSHRSMN1; SMN2MAPT
SCHEMBL2991760 0.83 KMT2A (0.59) KMT2ANPSR1TSHRSMN1; SMN2MAPT
SCHEMBL8313919 0.83
SCHEMBL23861292 0.79 KMT2A (0.84) KMT2ANPSR1TSHRSMN1; SMN2MAPT
SCHEMBL29043353 0.79 KMT2A (0.84) KMT2ANPSR1TSHRSMN1; SMN2MAPT
SCHEMBL11015380 0.78 KMT2A (0.81) KMT2ANPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2731577 0.77 KMT2A (0.52) KMT2ANPSR1TSHRSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28457687 0.76 KMT2A (0.41) KMT2ANPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL2301129 0.76 KMT2A (0.66) KMT2ANPSR1TSHRSMN1; SMN2MAPT

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-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed

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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS KMT2A 669/4885NPSR1 4167/4885TSHR 3752/4885

“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.