SCHEMBL11907899

SCHEMBL11907899

Cc1ccsc1-c1ccc(N)c(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAP2K3 P46734 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 4/20 0.38
CYP2A6 P11509 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
EEF2K O00418 1/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL11907898 0.82 RAB9A (0.47) KMT2AMAP2K3HPGDHPGDSKDM4E
SCHEMBL11909381 0.80 MAP2K3 (0.39) KMT2AMEN1MAP2K3ALDH1A1HPGD
SCHEMBL11906960 0.75 MAP2K3 (0.49) MAP2K3ALDH1A1HPGDKDM4E
SCHEMBL319118 0.75 HSP90AA1 (0.51) MAP2K3ALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL11909835 0.74 KDM4E (0.57) KMT2AMEN1MAP2K3ALDH1A1HPGD
SCHEMBL11907166 0.73 GRM2 (0.42) MAP2K3ALDH1A1HPGDKDM4ECYP2A6
SCHEMBL11909693 0.73 MAP2K3 (0.50) KMT2AMEN1MAP2K3ALDH1A1HPGD
SCHEMBL11908992 0.72 MAP2K3 (0.40) MAP2K3ALDH1A1HPGDSKDM4E
SCHEMBL11908134 0.71 CCR1 (0.52) MAP2K3CYP2A6RAB9A
SCHEMBL3576485 0.70 GRM5 (0.54) KMT2AMEN1MAP2K3ALDH1A1KDM4E

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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 981/4885MEN1 3897/4885MAP2K3 197/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 981/4885MEN1 3897/4885MAP2K3 197/4885

“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.