SCHEMBL3579738

SCHEMBL3579738

Nc1cncc(C#Cc2cnc(N(CCN3CCOCC3)N(Cc3ccccc3Cl)C(=O)Nc3cncc(C#Cc4cnc(NCCN5CCOCC5)nc4)c3)nc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
CASR P41180 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSNK2A1 P68400 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL5276497 0.79 SMN1; SMN2 (0.48) TSHRCYP1A2CYP2C19LMNACYP3A4
SCHEMBL3582836 0.75 P2RX3 (0.42) TSHRCYP1A2CYP2C19LMNACYP3A4
SCHEMBL3575312 0.71 NAMPT (0.39) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL3632929 0.71 EGFR (0.44) TSHRCYP1A2CYP2C19LMNACYP3A4
SCHEMBL3574725 0.71 EPHX2 (0.45) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL3575970 0.70 AURKA (0.46) TSHRLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL13499918 0.70 EGFR (0.43) LMNAALDH1A1MAPTPOLBMAPK1
SCHEMBL3574150 0.69 SMN1; SMN2 (0.45) TSHRCYP1A2CYP2C19LMNACYP3A4
SCHEMBL4718778 0.67 EGFR (0.47) TSHRCYP1A2CYP2C19LMNACYP3A4
SCHEMBL13499919 0.67 EPHX2 (0.48) CYP1A2CYP2C19LMNACYP3A4CYP2D6

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 1 patent. 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

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 TSHR 2425/4885CYP1A2 4044/4885CYP2C19 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.