SCHEMBL986864

SCHEMBL986864

Nc1cnc2[nH]c(C3CCCN(C(=O)O)C3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIN2B Q13224 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 7/20 0.40
POLB P06746 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL983761 0.83 JAK2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL987737 0.77 MAPT (0.43) CYP2D6CYP2C9KDM4EPOLBALDH1A1
SCHEMBL987875 0.72 GRIN2B (0.50) CYP3A4CYP2C19CYP2D6CYP2C9SMN1; SMN2
SCHEMBL2520100 0.72 HTR2B (0.61) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL742415 0.72 HTR2B (0.61) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2514536 0.72 HTR2B (0.61) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL741433 0.71 MPO (0.55) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL26619912 0.70 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30074856 0.70 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL26619757 0.70 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9

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 2450/4885CYP2C19 2682/4885

“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.