Sugi Predict

Sugi Predict / Compounds / SCHEMBL3609609

SCHEMBL3609609

SCHEMBL3609609

COCC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 4/20 0.61
▸ CDK1 P06493 13/20 0.55
▸ IGF1R P08069 13/20 0.55
▸ FGFR1 P11362 13/20 0.55
▸ BRAF P15056 13/20 0.55
▸ FGFR2 P21802 13/20 0.55
▸ FGFR4 P22455 13/20 0.55
▸ FGFR3 P22607 13/20 0.55
▸ JAK1 P23458 13/20 0.55
▸ CDK2 P24941 13/20 0.55
▸ AXL P30530 13/20 0.55
▸ CDK5 Q00535 13/20 0.55
▸ PTK2B Q14289 13/20 0.55
▸ HPGD P15428 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3601037 0.89 SMO (0.65) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL13445136 0.87 SMO (0.78) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3605173 0.87 SMO (0.74) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL20420616 0.87 SMO (0.71) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3606560 0.86 SMO (0.61) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3599636 0.83 SMO (0.63) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3602538 0.80 SMO (0.65) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3610708 0.79 SMO (0.57) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3601569 0.79 SMO (0.76) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL13444952 0.78 SMO (1.00) SMOCDK1IGF1RFGFR1BRAF

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
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 — — EP claimed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 — — US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 — — US claimed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 — — EP claimed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 — — WO claimed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 — — EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 — — US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 — — US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 — — US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 — — 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 (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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SMO 5/4885CDK1 479/4885IGF1R 1791/4885

“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.