SCHEMBL983774

SCHEMBL983774

Nc1cnc2[nH]c(-c3ccccc3Br)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38

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
SCHEMBL986675 0.83 NPC1 (0.51) PTGESMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL984968 0.83 NPC1 (0.51) PTGESMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL986878 0.79 ALDH1A1 (0.54) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL986989 0.78 ALDH1A1 (0.46) PTGESMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL987503 0.77 PTGES (0.41) PTGESMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL987245 0.77 MMP2 (0.52) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL986735 0.76 HRH1 (0.48) PTGESMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL5621043 0.74 ALDH1A1 (0.54) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL983953 0.72 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL20708511 0.71 PTGES (0.55) PTGESSMN1; SMN2ALDH1A1HPGDDCUN1D1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF PTGES 3504/4885MAPT 4751/4885SMN1; SMN2 2594/4885

“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.