Sugi Predict

Sugi Predict / Compounds / SCHEMBL338895

SCHEMBL338895

SCHEMBL338895

NCc1cc2ncc(C(=O)Nc3ccncc3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ KCNMA1 Q12791 2/20 0.42
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ DPP4 P27487 5/20 0.39
▸ DPP8 Q6V1X1 5/20 0.39
▸ DPP9 Q86TI2 3/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NT5E P21589 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL340001 0.90 NPC1 (0.50) KCNMA1LMNAALDH1A1HPGDKMT2A
SCHEMBL868834 0.83 DPP4 (0.39) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL338817 0.78 DPP4 (0.52) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339884 0.78 CYP3A4 (0.40) DPP4DPP8DPP9KDR
SCHEMBL339876 0.76 DPP4 (0.42) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339964 0.76 DPP4 (0.41) ALDH1A1HPGDDPP4DPP8DPP9
SCHEMBL339770 0.76 PIK3CA (0.44) DPP4DPP8DPP9KMT2AMEN1
SCHEMBL338672 0.76 DPP4 (0.49) JAK2JAK1TYK2LMNAALDH1A1
SCHEMBL339827 0.76 DPP4 (0.43) LMNADPP4DPP8DPP9KMT2A
SCHEMBL339904 0.76 ALPL (0.46) LMNAALDH1A1HPGDDPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC JAK2 1826/4885JAK1 1874/4885TYK2 1127/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC JAK2 1826/4885JAK1 1874/4885TYK2 1127/4885

“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.