SCHEMBL277650

SCHEMBL277650

COc1cccc(C(=O)Nc2ccncc2C=O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 7/20 0.55
TSHR P16473 3/20 0.55
TTK P33981 1/20 0.54
CHUK O15111 1/20 0.54
ICOSLG O75144 1/20 0.54
ICOS Q9Y6W8 1/20 0.54
RAB9A P51151 5/20 0.54
POLB P06746 2/20 0.53
NPC1 O15118 3/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 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
SCHEMBL277775 0.91 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL26066148 0.85 SNCA (0.60) KMT2AMEN1SMN1; SMN2TSHRCHUK
SCHEMBL29278946 0.84 MEN1 (0.76) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL259603 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18343125 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5922458 0.81 KDM4D (0.60) KMT2ARAB9APOLBNPC1HTT
SCHEMBL273817 0.81 POLB (0.47) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL259609 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL259608 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL13319566 0.77 MEN1 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 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 (2 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885KMT2A 1722/4885MEN1 3330/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885KMT2A 1722/4885MEN1 3330/4885

“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.