SCHEMBL986956

SCHEMBL986956

O=C(OCc1ccccc1)N1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 2/20 0.45
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 1/20 0.44
USP30 Q70CQ3 1/20 0.43
USP2 O75604 1/20 0.42
PRMT5 O14744 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
SCHEMBL986440 0.91 JAK2 (0.47) GRIN2BSMN1; SMN2JAK2JAK1TYK2
SCHEMBL987875 0.85 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9AJAK2
SCHEMBL2307512 0.77 GRIN2B (0.72) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL983761 0.76 JAK2 (0.49) GRIN2BSMN1; SMN2JAK2JAK1TYK2
SCHEMBL15747761 0.75 SMN1; SMN2 (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL2709675 0.74 GRIN2B (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2709670 0.74 GRIN2B (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1554215 0.73 SMN1; SMN2 (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL4753923 0.72 MAPT (0.62) SMN1; SMN2RAB9ACYP2C9
SCHEMBL2711765 0.72 USP2 (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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 GRIN2B 4252/4885SMN1; SMN2 2594/4885NPC1 3527/4885

“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.