SCHEMBL18507345

SCHEMBL18507345

CCc1cnn(Cc2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ERCC5 P28715 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KLKB1 P03952 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
CYP11B1 P15538 1/20 0.38
CREBBP Q92793 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9908393 0.84 L3MBTL1 (0.61) L3MBTL1LMNAMAPTCREBBP
SCHEMBL19090081 0.82 KCNH2 (0.55) CYP2C9KDM4EL3MBTL1KCNH2LMNA
SCHEMBL14964462 0.81 L3MBTL1 (0.54) L3MBTL1ERCC5KDM5BKLKB1CYP11B1
SCHEMBL15014143 0.81 LMNA (0.61) L3MBTL1KCNH2LMNAMAPTTAS2R8
SCHEMBL25583711 0.80 TEK (0.47) CYP3A4CYP2C9KDM4EL3MBTL1KCNH2
SCHEMBL14329313 0.80 CYP3A4 (0.49) CYP3A4CYP2C9KDM4EL3MBTL1LMNA
SCHEMBL16093363 0.78 L3MBTL1 (0.50) KDM4EL3MBTL1ERCC5MAPTKLKB1
SCHEMBL18471507 0.77 CYP3A4 (0.47) CYP3A4CYP2C9KDM4EL3MBTL1KCNH2
SCHEMBL15013062 0.77 GAA (0.59) L3MBTL1LMNAMAPTKMT2A
SCHEMBL1979091 0.76 MAPT (0.65) CYP3A4CYP2C9KDM4EL3MBTL1LMNA

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-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 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-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B CYP3A4 2595/4885CYP2C9 3818/4885KDM4E 2666/4885

“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.