SCHEMBL3586846

SCHEMBL3586846

Nc1ncc(-c2ccoc2)nc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.57
MAPK1 P28482 1/20 0.49
PRKDC P78527 4/20 0.47
PLAU P00749 1/20 0.45
ATM Q13315 2/20 0.43
CYP3A4 P08684 1/20 0.42
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 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
SCHEMBL3585698 0.85 ATR (0.65) ATRMAPK1PRKDCIKBKETBK1
SCHEMBL318797 0.80 ATR (0.68) ATRPRKDCATMCYP3A4
SCHEMBL27912650 0.79 ATR (0.48) ATRMAPK1PRKDCPLAUIKBKE
SCHEMBL11908281 0.77 ATR (0.67) ATRPRKDCATM
SCHEMBL11908296 0.77 ATR (0.67) ATRPRKDCATMCYP3A4
SCHEMBL23703073 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL3983358 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL11906967 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL30048631 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL11906430 0.75 ATR (0.64) ATRPRKDCATMCYP3A4

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 12 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-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
EP-2066676-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF Vertex Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 WO disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 WO 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 (3 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 423/4885MAPK1 216/4885PRKDC 9/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885MAPK1 216/4885PRKDC 9/4885
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF MET, RET, ABL1 ATR 1468/4885MAPK1 718/4885PRKDC 29/4885

“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.