SCHEMBL13027869

SCHEMBL13027869

O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc(OCC3CC3)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.48
PIM3 Q86V86 3/20 0.47
PIM1 P11309 1/20 0.47
GSK3B P49841 4/20 0.45
GSK3A P49840 3/20 0.45
ATR Q13535 1/20 0.43
PIM2 Q9P1W9 3/20 0.42
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
WDR5 P61964 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
SCHEMBL13027817 0.88 CHEK1 (0.51) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027893 0.85 CHEK1 (0.49) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027865 0.82 CHEK1 (0.51) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027930 0.82 PIM1 (0.52) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027779 0.82 CHEK1 (0.58) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027885 0.82 CHEK1 (0.51) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027832 0.81 PIM1 (0.55) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13028332 0.81 PIM1 (0.57) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027878 0.81 PIM1 (0.51) CHEK1PIM3PIM1GSK3BGSK3A
SCHEMBL13027822 0.81 CHEK1 (0.57) CHEK1PIM3PIM1GSK3BGSK3A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774070-B2 2-(pyridin-3-yl)-pyrimidine derivatives as RET inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2020-09-15 US disclosed
US-10202365-B2 2-(pyridin-3-yl)-pyrimidine derivatives as RET inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2019-02-12 US disclosed
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 US disclosed
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 US disclosed
WO-2016127074-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2016-08-11 WO disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 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 (4 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 CHEK1 113/4885PIM3 929/4885PIM1 677/4885
US-10202365-B2 2-(pyridin-3-yl)-pyrimidine derivatives as RET inhibitors RET, BRAF, RB1 CHEK1 970/4885PIM3 2450/4885PIM1 2417/4885
US-10774070-B2 2-(pyridin-3-yl)-pyrimidine derivatives as RET inhibitors RET, BRAF, RB1 CHEK1 970/4885PIM3 2450/4885PIM1 2417/4885
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS RET, MECP2, RB1 CHEK1 477/4885PIM3 2020/4885PIM1 2313/4885

“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.