SCHEMBL986842

SCHEMBL986842

O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3Cl)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.62
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
GUSB P08236 1/20 0.45
C1R P00736 1/20 0.42
AMY1A P0DUB6 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PTGES O14684 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
METAP1 P53582 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL986989 0.85 ALDH1A1 (0.46) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL984222 0.85 NPC1 (0.46) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL16076553 0.84 NPBWR1 (0.45) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL984422 0.82 RAB9A (0.59) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL986056 0.80 NPBWR1 (0.50) NPBWR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL987496 0.80 NPBWR1 (0.61) NPBWR1NPC1RAB9AALDH1A1GUSB
SCHEMBL3337243 0.80 NPBWR1 (0.81) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL986445 0.79 NPBWR1 (0.63) NPBWR1NPC1RAB9AALDH1A1GUSB
SCHEMBL984968 0.78 NPC1 (0.51) NPBWR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL5251968 0.78 NPC1 (0.59) NPBWR1NPC1RAB9AALDH1A1GUSB

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 NPBWR1 3190/4885NPC1 3527/4885RAB9A 752/4885

“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.