SCHEMBL259463

SCHEMBL259463

Cc1cccc(NC(=O)c2ccnc(NCCN)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KCNK3 O14649 6/20 0.55
KCNK9 Q9NPC2 6/20 0.55
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
BRAF P15056 1/20 0.51
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
NT5E P21589 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
AURKA O14965 2/20 0.47

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
SCHEMBL259470 0.84 MEN1 (0.64) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL14308003 0.79 MEN1 (0.66) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL15238366 0.76 KCNK3 (0.67) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL259371 0.76 KMT2A (0.66) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL3526380 0.74 KDM4D (0.70) ALDH1A1MAPT
SCHEMBL259421 0.74 KCNK3 (0.86) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL4253897 0.73 KCNK3 (0.93) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL14125389 0.73 KARS1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12764344 0.73 MEN1 (0.57) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL12764356 0.72 ALDH1A1 (0.57) MEN1KMT2ARXFP1KCNK3KCNK9

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 10 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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 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 MEN1 3330/4885KMT2A 1722/4885RXFP1 4866/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885RXFP1 4866/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885RXFP1 4866/4885

“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.