SCHEMBL11907360

SCHEMBL11907360

COc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.70
PRKDC P78527 4/20 0.70
NEK2 P51955 4/20 0.56
CHEK1 O14757 1/20 0.56
MAP4K4 O95819 1/20 0.52
GSK3B P49841 2/20 0.51
PARP1 P09874 1/20 0.50
PRKCA P17252 1/20 0.49
PRKCQ Q04759 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL8307717 0.88 ATR (0.69) ATRPRKDCNEK2CHEK1PARP1
SCHEMBL3460862 0.85 ATR (0.72) ATRPRKDCGSK3BPRKCAPRKCQ
SCHEMBL23703073 0.84 ATR (0.67) ATRPRKDCMAP4K4ATM
SCHEMBL30048631 0.84 ATR (0.67) ATRPRKDCMAP4K4ATM
SCHEMBL2484387 0.82 ATR (1.00) ATRPRKDCATM
SCHEMBL11908281 0.82 ATR (0.67) ATRPRKDCATM
SCHEMBL318797 0.82 ATR (0.68) ATRPRKDCATM
SCHEMBL11909602 0.81 MAP4K4 (0.50) ATRPRKDCNEK2MAP4K4
SCHEMBL11906967 0.81 ATR (0.67) ATRPRKDCMAP4K4PARP1ATM
SCHEMBL3983358 0.81 ATR (0.67) ATRPRKDCMAP4K4ATM

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 ATR 423/4885PRKDC 9/4885NEK2 486/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885PRKDC 9/4885NEK2 486/4885

“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.