SCHEMBL259608

SCHEMBL259608

COc1cccc(C(=O)Nc2cnccc2C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 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
CSF1R P07333 1/20 0.53
PARP1 P09874 1/20 0.52
NPC1 O15118 3/20 0.52
KDM4D Q6B0I6 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL18343125 0.91 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL259609 0.89 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL882567 0.84 MEN1 (0.76) KMT2AMEN1SMN1; SMN2TSHRRAB9A
SCHEMBL259603 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL9979195 0.81 KDM4D (0.56) KMT2AMEN1SMN1; SMN2TSHRPOLB
SCHEMBL259543 0.81 MEN1 (0.68) KMT2AMEN1SMN1; SMN2TSHRRAB9A
SCHEMBL277775 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL259504 0.79 MEN1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL277650 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL14358725 0.79 TSHR (0.72) 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 7 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
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20070037805-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.