SCHEMBL11908040

SCHEMBL11908040

Nc1ccc(-c2nc(C(=O)O)c(N)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MKNK1 Q9BUB5 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
SCHEMBL11906705 0.81 DHODH (0.45) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL11907595 0.78 MAP2K3 (0.41) KDM4EALDH1A1GAAPIM1PIM3
SCHEMBL11907875 0.75 MAP2K3 (0.51) KDM4EALDH1A1GAAGABRPGABRD
SCHEMBL16517562 0.74 AURKA (0.46) KDM4EALDH1A1NPC1GLARAB9A
SCHEMBL318205 0.74 PIM2 (0.44) PIM1PIM3PIM2
SCHEMBL11907324 0.73 KDM4E (0.40) KDM4EALDH1A1PIM1PIM3PIM2
SCHEMBL2371893 0.73 CFTR (0.67) CFTRPIK3CAMAP4K4
SCHEMBL11908119 0.72 TGFBR1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11909058 0.72 PIM3 (0.39) PIM1PIM3PIM2
SCHEMBL318118 0.72 PIM1 (0.45) PIM1PIM3PIM2NPC1RAB9A

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 KDM4E 946/4885ALDH1A1 2176/4885GAA 1434/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885ALDH1A1 2176/4885GAA 1434/4885

“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.