SCHEMBL4917129

SCHEMBL4917129

N#CNC(=N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
GAA P10253 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL437416 0.76 MEN1 (0.59) GAACES2CES1AKR1B1MEN1
SCHEMBL5341823 0.74 CTBP2 (0.39) MEN1KMT2ALMNAALDH1A1
SCHEMBL434982 0.74 HDAC8 (0.56) GAACES2CES1AKR1B1MEN1
SCHEMBL8894996 0.73 MCL1 (0.50) GAACYP2D6CYP2C19MEN1KMT2A
SCHEMBL27312416 0.73 GAA (0.54) CYP1A2GAACYP2D6CYP2C9CYP2C19
SCHEMBL3686474 0.73 IFNAR1 (0.43) CYP2C9CYP2C19CRHBPCRHR2LMNA
SCHEMBL24027026 0.72 CES2 (0.44) CYP2D6CES2CES1AKR1B1MEN1
SCHEMBL2643808 0.72 CES1 (0.44) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL7122768 0.72 IDO1 (0.44) CYP1A2GAACYP2D6CYP2C9CYP2C19
SCHEMBL31284828 0.72 ALDH1A1 (0.46) CYP1A2GAACYP2D6CYP2C9CYP2C19

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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 CYP1A2 71/4885GAA 467/4885CYP2D6 70/4885

“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.