Sugi Predict

Sugi Predict / Compounds / SCHEMBL596609

SCHEMBL596609

SCHEMBL596609

Cc1cc(Nc2nc(C=Cc3ccccc3)nc(Nc3cc(C)n[nH]3)c2[N+](=O)[O-])[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ LCK P06239 3/20 0.38
▸ SRC P12931 3/20 0.38
▸ BTK Q06187 2/20 0.38
▸ PTK6 Q13882 2/20 0.38
▸ LYN P07948 1/20 0.38
▸ CSK P41240 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL596608 1.00 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL596644 0.87 HTT (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL596643 0.87 HTT (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL597007 0.87 AURKA (0.38) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL596637 0.87 LMNA (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL598052 0.87 IGF1R (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL598053 0.87 IGF1R (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL597006 0.87 AURKA (0.38) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL596636 0.87 LMNA (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16660264 0.86 ADORA3 (0.34) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 — — EP disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 — — US disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 — — US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 — — US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 — — US 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 (2 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-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB MAPT 1396/4885CYP1A2 3354/4885CYP3A4 3733/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB MAPT 1264/4885CYP1A2 2739/4885CYP3A4 3721/4885

“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.