SCHEMBL1493319

SCHEMBL1493319

O=[N+]([O-])c1cnc2cc(N3CCCC3)nn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 3/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
CDC7 O00311 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL1493386 0.75 ALDH1A1 (0.37) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL1490967 0.72 MAPT (0.38) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL1490692 0.72 MAPT (0.43) MAPTLMNACYP1A2CYP2C9MEN1
SCHEMBL1493336 0.71 ALKBH5 (0.61) MAPTMAPK1MEN1KMT2A
SCHEMBL238818 0.71 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1493305 0.70 MAPT (0.41) MAPTALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL1981875 0.70 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1490944 0.69 MAPT (0.38) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL29039325 0.69 MAPT (0.50) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1493335 0.69 MAPT (0.45) MAPTCDK2

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 900/4885ALDH1A1 1505/4885LMNA 1431/4885

“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.