SCHEMBL11907166

SCHEMBL11907166

Cc1cscc1-c1ccc(N)c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
MAP2K3 P46734 2/20 0.41
KDM1A O60341 1/20 0.38
EIF4E P06730 1/20 0.38
CYP2A6 P11509 5/20 0.38
CYP2B6 P20813 3/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL11909693 0.79 MAP2K3 (0.50) MAP2K3KDM4EALDH1A1HPGDPIM1
SCHEMBL11909828 0.75 MAP2K3 (0.46) MAP2K3TDP1KDM4EALDH1A1PIM1
SCHEMBL11906960 0.75 MAP2K3 (0.49) MAP2K3GABRPGABRDGABRA1GABRB1
SCHEMBL11907806 0.74 GRM2 (0.44) GRM2MAP2K3CYP3A4
SCHEMBL11907300 0.74 KEAP1 (0.44) MAP2K3HDAC1PIM2
SCHEMBL11907542 0.73 MAP2K3 (0.41) MAP2K3GABRPGABRDGABRA1GABRB1
SCHEMBL11907899 0.73 KMT2A (0.43) MAP2K3CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL11907622 0.73 MAP2K3 (0.50) MAP2K3TDP1GABRPGABRDGABRA1
SCHEMBL11906527 0.72 DHODH (0.40) MAP2K3HDAC1PIM1PIM3PIM2
SCHEMBL11908992 0.72 MAP2K3 (0.40) MAP2K3TDP1GABRPGABRDGABRA1

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 GRM2 3342/4885MAP2K3 197/4885KDM1A 1020/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GRM2 3342/4885MAP2K3 197/4885KDM1A 1020/4885

“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.