SCHEMBL3686474

SCHEMBL3686474

N#CNC(=N)Cc1ccccc1Sc1ccccc1CC(=N)NC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.43
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SLC6A3 Q01959 1/20 0.33
APOBEC3G Q9HC16 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL3692854 0.84 IFNAR1 (0.38) IFNAR1LMNASMN1; SMN2RECQLALDH1A1
SCHEMBL3683980 0.81 IFNAR1 (0.36) IFNAR1LMNASMN1; SMN2RECQLALDH1A1
SCHEMBL5341823 0.78 CTBP2 (0.39) LMNAALDH1A1HPGDMAPT
SCHEMBL4917129 0.73 CYP1A2 (0.42) LMNAALDH1A1CYP2C9CYP2C19CRHBP
SCHEMBL5340353 0.71 P2RX7 (0.46) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL3684854 0.71 LMNA (0.64) IFNAR1LMNASMN1; SMN2RECQLALDH1A1
SCHEMBL5343945 0.70 P2RX7 (0.36) CYP2C9MAPT
SCHEMBL14089600 0.68 LMNA (0.49) IFNAR1LMNASMN1; SMN2RECQLALDH1A1
SCHEMBL4437147 0.66 ALDH1A1 (0.46) IFNAR1LMNAALDH1A1MAPK1CYP2C9
SCHEMBL4438686 0.66 HPGD (0.55) LMNASMN1; SMN2RECQLALDH1A1CYP2C9

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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP claimed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO claimed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
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 IFNAR1 3372/4885LMNA 1202/4885SMN1; SMN2 1564/4885

“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.