Sugi Predict

Sugi Predict / Compounds / SCHEMBL338617

SCHEMBL338617

SCHEMBL338617

Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ TNF P01375 1/20 0.35
▸ AR P10275 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 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
SCHEMBL338621 0.90 DPP4 (0.40) PIK3CATGFBR1ARPIK3R1MTOR
SCHEMBL339811 0.90 PIK3CA (0.39) PIK3CATGFBR1AOC3LRRK2KDM4E
SCHEMBL339243 0.88 NCF1 (0.37) ALDH1A1LMNAMEN1CYP1A2CYP3A4
SCHEMBL340044 0.88 HTR1A (0.37) MEN1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL8232635 0.84 CYP2D6 (0.32) —
SCHEMBL338589 0.81 PIK3CA (0.44) PIK3CAALDH1A1MEN1KMT2AHPGD
SCHEMBL339127 0.81 DPP4 (0.43) PIK3CATGFBR1ARMTORALDH1A1
SCHEMBL340151 0.78 NCF1 (0.36) CYP1A2CYP3A4CYP2C19KDM4EHSD17B10
SCHEMBL338770 0.78 HTR1A (0.38) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL339764 0.78 DPP4 (0.40) MEN1CYP1A2CYP3A4KMT2ADPP4

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 10 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
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 — — 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC PIK3CA 1666/4885TGFBR1 2280/4885TNF 3904/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885TGFBR1 2280/4885TNF 3904/4885

“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.