SCHEMBL11908296

SCHEMBL11908296

Nc1ncc(-c2ccncc2)nc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 17/20 0.67
▸ PRKDC P78527 4/20 0.67
▸ CYP3A4 P08684 1/20 0.51
▸ MAP2K3 P46734 1/20 0.50
▸ ATM Q13315 2/20 0.49
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 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
SCHEMBL318797 0.87 ATR (0.68) ATRPRKDCCYP3A4ATM
SCHEMBL2486385 0.84 ATR (0.70) ATRCYP3A4CDK5CDK5R1
SCHEMBL11908281 0.84 ATR (0.67) ATRPRKDCATM
SCHEMBL30048631 0.83 ATR (0.67) ATRPRKDCATM
SCHEMBL11906967 0.83 ATR (0.67) ATRPRKDCATM
SCHEMBL23703073 0.83 ATR (0.67) ATRPRKDCATM
SCHEMBL3983358 0.83 ATR (0.67) ATRPRKDCATMCDK5CDK5R1
SCHEMBL11906430 0.82 ATR (0.64) ATRPRKDCCYP3A4ATMCDK5
SCHEMBL3462574 0.82 ATR (0.68) ATRPRKDCCYP3A4ATM
SCHEMBL23703565 0.82 PIK3CD (0.53) ATRPRKDCATMCDK5CDK5R1

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 9/4885CYP3A4 4161/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885PRKDC 9/4885CYP3A4 4161/4885

“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.

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