Sugi Predict

Sugi Predict / Compounds / SCHEMBL3598725

SCHEMBL3598725

SCHEMBL3598725

N[N+](=O)c1[c]nc(N2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP1A2 P05177 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ UBE2T Q9NPD8 1/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33

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
SCHEMBL8540547 0.71 CYP1A2 (0.46) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL18668207 0.69 CYP1A2 (0.48) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL1581515 0.63 CYP1A2 (0.37) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL2263521 0.62 CYP1A2 (0.40) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL14503215 0.60 CYP1A2 (0.75) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL14812759 0.60 IP6K1 (0.36) MAPTALDH1A1LMNATDP1POLB
SCHEMBL1526838 0.60 CHKA (0.39) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL22348008 0.60 CYP1A2 (0.33) MAPTALDH1A1MAPK1TDP1CYP1A2
SCHEMBL9366968 0.59 ALDH1A1 (0.56) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL3598727 0.59 MAPT (0.69) MAPTALDH1A1MAPK1LMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080547-B2 Triazolopyridine carboxamide derivatives and triazolopyrimidine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-12-20 — — US disclosed
US-20100041651-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 — — US disclosed
EP-2146990-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 — — EP disclosed
WO-2008145839-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 — — 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-20100041651-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, GLP1R, GLS MAPT 2893/4885ALDH1A1 358/4885MAPK1 2978/4885

“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.