SCHEMBL5276497

SCHEMBL5276497

O=C(NCc1ccccc1Cl)Nc1cncc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
CNR1 P21554 1/20 0.43
CYP2C19 P33261 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.41
FLT3 P36888 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 2/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
EGFR P00533 1/20 0.40
STAT6 P42226 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL3575312 0.89 NAMPT (0.39) SMN1; SMN2CNR1CYP2C19LMNACYP1A2
SCHEMBL3574150 0.88 SMN1; SMN2 (0.45) SMN1; SMN2CNR1CYP2C19LMNACYP1A2
SCHEMBL3575970 0.88 AURKA (0.46) SMN1; SMN2CNR1LMNATSHRALDH1A1
SCHEMBL3580884 0.85 MCHR1 (0.45) SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3579738 0.79 TSHR (0.37) SMN1; SMN2CYP2C19LMNACYP1A2TSHR
SCHEMBL3574725 0.79 EPHX2 (0.45) SMN1; SMN2CNR1CYP2C19LMNACYP1A2
SCHEMBL3581924 0.79 CNR2 (0.43) SMN1; SMN2CYP2C19LMNACYP1A2CYP3A4
SCHEMBL3663799 0.78 LCK (0.40) SMN1; SMN2CNR1LMNANAMPTKMT2A
SCHEMBL3577243 0.77 LCK (0.45) SMN1; SMN2CNR1CYP2C19LMNACYP1A2
SCHEMBL3575251 0.76 SCN2A (0.49) CYP2C19CYP1A2CYP3A4NAMPT

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 SMN1; SMN2 3824/4885CNR1 2409/4885CYP2C19 2691/4885

“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.