SCHEMBL11909693

SCHEMBL11909693

Cc1ccccc1-c1ccc(N)c(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.50
PRKDC P78527 1/20 0.50
ATR Q13535 1/20 0.50
IKBKB O14920 1/20 0.44
HPGD P15428 3/20 0.43
MYC P01106 1/20 0.42
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA2A P29274 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
TDP2 O95551 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL11906960 0.84 MAP2K3 (0.49) MAP2K3PRKDCATRHPGDMYC
SCHEMBL11907598 0.81 PIM2 (0.54) MAP2K3ATRADORA2ANPC1RAB9A
SCHEMBL11906627 0.81 MAP2K3 (0.50) MAP2K3PRKDCATRIKBKBPTPN1
SCHEMBL11909828 0.81 MAP2K3 (0.46) MAP2K3ALDH1A1KDM4EMAPTMEN1
SCHEMBL11906808 0.81 ATR (0.53) MAP2K3ATRIKBKBHPGDPTPN1
SCHEMBL2469197 0.80 PRKDC (0.46) PRKDCATRIKBKBHPGDMYC
SCHEMBL11907806 0.80 GRM2 (0.44) MAP2K3PKM
SCHEMBL11907300 0.80 KEAP1 (0.44) MAP2K3PIM2
SCHEMBL11907166 0.79 GRM2 (0.42) MAP2K3PRKDCATRHPGDALDH1A1
SCHEMBL11909154 0.79 ATR (0.72) PRKDCATR

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 197/4885PRKDC 9/4885ATR 423/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885PRKDC 9/4885ATR 423/4885

“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.