Sugi Predict

Sugi Predict / Compounds / SCHEMBL596644

SCHEMBL596644

SCHEMBL596644

Cc1cc(Nc2nc(C=Cc3ccccc3)nc(N3CCCC3)c2[N+](=O)[O-])[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AURKA O14965 4/20 0.42
▸ AURKB Q96GD4 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ PLK4 O00444 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ RET P07949 2/20 0.39
▸ KIT P10721 2/20 0.39
▸ FGFR1 P11362 2/20 0.39

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
SCHEMBL596643 1.00 HTT (0.43) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL596636 0.99 LMNA (0.44) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL596637 0.99 LMNA (0.44) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL597006 0.94 AURKA (0.38) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL597007 0.94 AURKA (0.38) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL597836 0.93 AURKA (0.47) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL597837 0.93 AURKA (0.47) HTTTP53LMNAALDH1A1NPSR1
SCHEMBL596713 0.92 MAPT (0.44) HTTLMNAALDH1A1NPSR1AURKA
SCHEMBL596712 0.92 MAPT (0.44) HTTLMNAALDH1A1NPSR1AURKA
SCHEMBL596608 0.87 MAPT (0.43) HTTTP53LMNAALDH1A1AURKA

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 7 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
EP-1928456-A2 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2008-06-11 — — EP disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 — — US disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 — — 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 (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 HTT 4515/4885TP53 111/4885LMNA 2446/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB HTT 4230/4885TP53 107/4885LMNA 1924/4885

“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.