SCHEMBL17858623

SCHEMBL17858623

Cc1cncc(-n2cnnn2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.67
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
F2 P00734 1/20 0.43
KCNJ1 P48048 4/20 0.42
KMT2A Q03164 2/20 0.41
RXRA P19793 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL19397285 0.77 NOTUM (0.47) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL19381177 0.75 NOTUM (0.45) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL917714 0.74 NOTUM (0.67) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL20153305 0.74 NOTUM (0.56) NOTUMRXRAGRIN1GRIN2B
SCHEMBL14919351 0.74 SMN1; SMN2 (0.48) NOTUMALDH1A1MAPTLMNAKCNJ1
SCHEMBL20342425 0.74 NOTUM (0.44) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL14919327 0.73 TP53 (0.66) NOTUMALDH1A1MAPTKCNJ1KMT2A
SCHEMBL82595 0.72 MAPT (0.69) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL21863404 0.72 CHRNB2 (0.40) NOTUMRXRAGRIN1GRIN2B
SCHEMBL15018386 0.72 KCNJ1 (0.51) ALDH1A1MAPTKCNJ1KMT2A

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NOTUM 2800/4885ALDH1A1 4653/4885MAPT 3279/4885

“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.