SCHEMBL3575970

SCHEMBL3575970

O=C(NCc1cccc(Cl)c1)Nc1cncc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CNR1 P21554 1/20 0.44
NAMPT P43490 3/20 0.43
TACR2 P21452 2/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FLT3 P36888 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 4/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
STAT6 P42226 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 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
SCHEMBL13500274 0.88 SMN1; SMN2 (0.46) AURKARPS6KB1SMN1; SMN2CNR1NAMPT
SCHEMBL5276497 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CNR1NAMPTFLT3LMNA
SCHEMBL3575312 0.82 NAMPT (0.39) AURKARPS6KB1SMN1; SMN2CNR1NAMPT
SCHEMBL3574725 0.79 EPHX2 (0.45) SMN1; SMN2CNR1AURKBLMNAKMT2A
SCHEMBL3579827 0.79 AURKA (0.43) AURKARPS6KB1NAMPTAURKBLMNA
SCHEMBL3580884 0.78 MCHR1 (0.45) AURKASMN1; SMN2AURKBLMNAALDH1A1
SCHEMBL3574150 0.76 SMN1; SMN2 (0.45) SMN1; SMN2CNR1FLT3LMNAKMT2A
SCHEMBL13499919 0.75 EPHX2 (0.48) SMN1; SMN2AURKBLMNAEPHX2
SCHEMBL4716333 0.75 ALDH1A1 (0.49) CNR1LMNAKMT2AALDH1A1NPC1
SCHEMBL13500296 0.72 NAMPT (0.44) AURKARPS6KB1NAMPTLMNA

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-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
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP 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 (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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 AURKA 164/4885RPS6KB1 570/4885SMN1; SMN2 3824/4885

“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.