SCHEMBL4714635

SCHEMBL4714635

Nc1ncc(C#Cc2cccc(NC(=O)NC3CCCC3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
EPHX2 P34913 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
EPHX1 P07099 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
MET P08581 1/20 0.52
KDR P35968 1/20 0.52
MERTK Q12866 1/20 0.52
POLB P06746 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL4717226 0.82 PKM (0.53) MAP4K4RAB9ANPC1MEN1KMT2A
SCHEMBL4720860 0.82 KDR (0.57) RAB9ANPC1EPHX2SMN1; SMN2EPHX1
SCHEMBL4719608 0.81 LCK (0.44) MAP4K4SMN1; SMN2KMT2AEGFRERBB2
SCHEMBL3579334 0.80 BTK (0.48) EPHX2EPHX1KMT2ATSHRKDR
SCHEMBL3575943 0.80 BTK (0.48) EPHX2EPHX1KMT2ATSHRKDR
SCHEMBL4715827 0.80 MEN1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3580009 0.79 LCK (0.59) EGFRKDRLCKTEK
SCHEMBL4717465 0.79 LCK (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4719789 0.79 LCK (0.54) SMN1; SMN2MEN1KMT2APKMEGFR
SCHEMBL4717511 0.79 LCK (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (1 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MAP4K4 1089/4885RAB9A 4632/4885NPC1 4797/4885

“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.