SCHEMBL3577968

SCHEMBL3577968

Brc1cnc(NCCCN2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
TYRO3 Q06418 1/20 0.50
MERTK Q12866 1/20 0.50
GAS6 Q14393 1/20 0.50
PIM1 P11309 1/20 0.49
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDK4 P11802 1/20 0.47
GSK3B P49841 1/20 0.47
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL1257037 0.91 KMT2A (0.51) EGFRPIM1LMNATSHRKMT2A
SCHEMBL2943473 0.85 TYRO3 (0.50) EGFRTYRO3MERTKGAS6KDM4E
SCHEMBL14454203 0.83 TYRO3 (0.51) EGFRTYRO3MERTKGAS6KDM4E
SCHEMBL29953666 0.82 TYRO3 (0.50) EGFRTYRO3MERTKGAS6KDM4E
SCHEMBL11988204 0.82 TYRO3 (0.50) EGFRTYRO3MERTKGAS6KDM4E
SCHEMBL1255024 0.82 TSHR (0.57) EGFRPIM1KDM4EGAALMNA
SCHEMBL951715 0.81 KDM4E (0.49) TYRO3MERTKGAS6PIM1KDM4E
SCHEMBL5491242 0.80 EGFR (0.58) EGFRTYRO3MERTKGAS6PIM1
SCHEMBL2948725 0.80 MAPT (0.59) TYRO3MERTKGAS6KDM4EGAA
SCHEMBL28372825 0.80 KDM4E (0.54) TYRO3MERTKGAS6KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 WO disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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 (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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 EGFR 662/4885TYRO3 616/4885MERTK 846/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 EGFR 827/4885TYRO3 168/4885MERTK 216/4885

“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.