SCHEMBL987737

SCHEMBL987737

Nc1cnc2[nH]c(C3CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
PARG Q86W56 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL6950675 0.80 DYRK1A (0.38) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL24565557 0.80 NPC1 (0.44) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL986864 0.77 CYP1A2 (0.43) KDM4ECYP2D6CYP2C9ALDH1A1POLB
SCHEMBL987958 0.74 ALDH1A1 (0.41) RAB9APARGALDH1A1
SCHEMBL30769972 0.73 MAPK13 (0.41) HRH4
SCHEMBL13607775 0.73 NPC1 (0.44) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL987875 0.73 GRIN2B (0.50) NPC1RAB9ACYP2D6CYP2C9
SCHEMBL986294 0.72 ALDH1A1 (0.37) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL7033840 0.71 MAPT (0.63) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL30769814 0.71 GSK3A (0.40)

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 MAPT 4751/4885KDM4E 2145/4885GFER 3108/4885

“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.