SCHEMBL1367042

SCHEMBL1367042

Cc1ccccc1-c1ncc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPK1 P28482 1/20 0.44
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
HPGDS O60760 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL1367211 0.89 MEN1 (0.47) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1366539 0.88 MEN1 (0.46) KMT2AMEN1MAPK1PRKAB2PRKAG1
SCHEMBL1366935 0.88 MEN1 (0.46) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1365049 0.87 MEN1 (0.46) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1367814 0.86 MEN1 (0.44) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1366598 0.86 KMT2A (0.46) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1367363 0.85 SSTR1 (0.47) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1367087 0.84 WNT1 (0.44) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL12142268 0.84 SMYD3 (0.53) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL1367480 0.81 HPGDS (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885MEN1 721/4885MAPK1 3346/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885MEN1 721/4885MAPK1 3346/4885

“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.