Sugi Predict

Sugi Predict / Compounds / SCHEMBL15079657

SCHEMBL15079657

SCHEMBL15079657

O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2nc(N4CCOCC4)ncc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MBD2 Q9UBB5 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPT P10636 4/20 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
SCHEMBL15079500 0.85 FLT3 (0.48) FLT3ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL15079660 0.85 FLT3 (0.59) FLT3ALDH1A1KMT2AMEN1NPC1
SCHEMBL73881 0.78 FLT3 (0.47) FLT3ALDH1A1KMT2AMEN1ALOX5
SCHEMBL73882 0.78 KMT2A (0.46) FLT3ALDH1A1KMT2AMEN1ALOX5
SCHEMBL15079640 0.77 FLT3 (0.56) FLT3
SCHEMBL15079510 0.75 FLT3 (0.62) FLT3ALDH1A1CYP1A2CYP2C9NPC1
SCHEMBL15079472 0.73 FLT3 (1.00) FLT3
SCHEMBL16219331 0.73 F2RL3 (0.46) ALDH1A1KMT2AMEN1F2RL3NPC1
SCHEMBL15079505 0.73 F2RL3 (0.46) ALDH1A1KMT2AMEN1F2RL3NPC1
SCHEMBL17706299 0.71 FLT3 (0.67) FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763998-B1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2016-04-27 — — EP disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 — — US disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 — — US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 — — US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 — — US disclosed
WO-2013091502-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2013-06-27 — — 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-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF MAP3K15, MAP3K1, MAP3K5 FLT3 123/4885ALDH1A1 2288/4885CYP1A2 661/4885

“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.