SCHEMBL10165810

SCHEMBL10165810

CN1C2CCC1CC(NC(=N)N)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
HTR4 Q13639 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL2745718 0.98 LMNA (0.43) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL9366512 0.80 MEN1 (0.51) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL6794293 0.80 MEN1 (0.51) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL6794288 0.76 MEN1 (0.51) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL2612622 0.73 ALDH1A1 (0.57) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL9730018 0.73 MEN1 (0.53) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL9730026 0.73 MEN1 (0.53) LMNACYP2C9MEN1KMT2AL3MBTL1
SCHEMBL7397644 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL7433665 0.73 CYP2D6 (0.45) LMNAMEN1KMT2AALDH1A1
SCHEMBL7433662 0.73 CYP2D6 (0.45) LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 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-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 LMNA 4548/4885CYP2C9 1885/4885MEN1 3528/4885

“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.