SCHEMBL986972

SCHEMBL986972

O=[N+]([O-])c1cnc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KIT P10721 2/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPY5R Q15761 1/20 0.43
XDH P47989 1/20 0.42
GUSB P08236 1/20 0.42
NPBWR1 P48145 3/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL986028 0.84 SCN2A (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL986206 0.81 XDH (0.48) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL984422 0.80 RAB9A (0.59) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL986445 0.80 NPBWR1 (0.63) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL984237 0.80 MMP13 (0.57) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL984016 0.78 SCN2A (0.48) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL4476782 0.77 RAB9A (0.53) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL5251968 0.76 NPC1 (0.59) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL2973918 0.76 NPBWR1 (0.44) MAPTRAB9ASMN1; SMN2MEN1HTT
SCHEMBL986022 0.76 RAB9A (0.65) KITMAPTRAB9ASMN1; SMN2MEN1

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 CYP1A2 2276/4885CYP3A4 2450/4885CYP2C9 3516/4885

“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.