SCHEMBL11907464

SCHEMBL11907464

CC(=O)Nc1cccc(-c2nc(C(=O)O)c(N)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
JAK3 P52333 1/20 0.46
MELK Q14680 1/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
NQO2 P16083 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAP4K4 O95819 1/20 0.44
BRAF P15056 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
STAT1 P42224 1/20 0.44
FYN P06241 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11907009 0.84 TYRO3 (0.50) ATRTP53MAPTNPC1RAB9A
SCHEMBL11906705 0.80 DHODH (0.45) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL16517562 0.79 AURKA (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11908075 0.77 TP53 (0.50) ATRTP53POLBMAPTNPC1
SCHEMBL11906996 0.76 CA1 (0.45) JAK3
SCHEMBL11909058 0.75 PIM3 (0.39)
SCHEMBL27612395 0.74 JAK3 (0.49) ATRJAK3MELKTP53POLB
SCHEMBL318205 0.74 PIM2 (0.44)
SCHEMBL11908119 0.72 TGFBR1 (0.35) ADORA2AMEN1KMT2A
SCHEMBL11907595 0.72 MAP2K3 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E

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 3 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
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 ATR 423/4885JAK3 165/4885MELK 96/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885JAK3 165/4885MELK 96/4885

“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.