SCHEMBL3576456

SCHEMBL3576456

C#Cc1cc(N)cnc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
BRD4 O60885 1/20 0.31
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL21604785 0.79 KDM4E (0.40)
SCHEMBL22082094 0.75 CYP11B1 (0.33) PTPN1PTPN6PTPN11
SCHEMBL13726594 0.75 BRD4 (0.31) BRD4
SCHEMBL10310885 0.75 SMN1; SMN2 (0.35) BRD4
SCHEMBL29236495 0.75 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL15482938 0.72 HTT (0.39)
SCHEMBL4618985 0.72 LCK (0.35)
SCHEMBL30966825 0.71 PTPN11 (0.43) PTPN11
SCHEMBL29236509 0.71 PTPN11 (0.43) PTPN11
SCHEMBL3576567 0.71 TTBK1 (0.35) PTPN11

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-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
CN-101198602-A Saminopyrimidine derivates with tIE2 inhibiting activity ASTRAZENECA AB (SE) 2008-06-11 CN disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN 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 PTPN1 393/4885PTPN6 388/4885PTPN11 340/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 PTPN1 891/4885PTPN6 1210/4885PTPN11 416/4885

“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.