SCHEMBL11908992

SCHEMBL11908992

Cc1csc(-c2ccc(N)c(C(=O)O)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.40
DAO P14920 1/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC3 O15379 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGDS O60760 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
TDP2 O95551 1/20 0.34
BACE1 P56817 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL11909835 0.76 KDM4E (0.57) MAP2K3KDM4ETDP1ALDH1A1
SCHEMBL11907398 0.74 MAP2K3 (0.42) MAP2K3HDAC1HDAC2HDAC3KDM4E
SCHEMBL11907071 0.72 CCR1 (0.50) MAP2K3KDM4EGABRPGABRDGABRA1
SCHEMBL11907166 0.72 GRM2 (0.42) MAP2K3HDAC1KDM4ETDP1GABRP
SCHEMBL11907899 0.72 KMT2A (0.43) MAP2K3KDM4EHPGDSALDH1A1
SCHEMBL11906831 0.72 MEN1 (0.46) MAP2K3DAOHDAC1HDAC2HDAC3
SCHEMBL11909211 0.72 CCR1 (0.50) MAP2K3KDM4EALDH1A1
SCHEMBL11906886 0.71 KDM4E (0.49) MAP2K3HDAC1KDM4ETDP1ALDH1A1
SCHEMBL11906960 0.71 MAP2K3 (0.49) MAP2K3KDM4EGABRPGABRDGABRA1
SCHEMBL11909081 0.71 MAP2K3 (0.51) MAP2K3GABRPGABRDGABRA1GABRB1

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 MAP2K3 197/4885DAO 2204/4885HDAC1 1638/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885DAO 2204/4885HDAC1 1638/4885

“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.