Sugi Predict

Sugi Predict / Compounds / SCHEMBL4829366

SCHEMBL4829366

SCHEMBL4829366

O=C(Cc1cccc(F)c1F)c1n[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL14026577 0.83 CTNNB1 (0.38) CTNNB1WNT3AALDH1A1DYRK1AWNT1
SCHEMBL14002608 0.81 GSK3B (0.36) CTNNB1WNT3ADYRK1AWNT1AURKA
SCHEMBL4831413 0.78 MAP2K1 (0.50) ADORA2A
SCHEMBL19997255 0.74 GSK3A (0.45) CTNNB1WNT3AALDH1A1KDM4EL3MBTL1
SCHEMBL5924485 0.74 KDM4E (0.40) CTNNB1WNT3AALDH1A1KDM4EAURKA
SCHEMBL28098788 0.72 MAP2K1 (0.41) ALDH1A1KDM4EAURKAKMT2AGSK3A
SCHEMBL10047436 0.71 KDM4E (0.46) LMNAKDM4EL3MBTL1AURKAPDPK1
SCHEMBL29623160 0.71 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1AURKAKMT2A
SCHEMBL1048847 0.71 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1AURKAKMT2A
SCHEMBL4833370 0.71 JAK2 (0.36) ALDH1A1DYRK1ALMNAAURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 — — US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 — — 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 CTNNB1 3666/4885WNT3A 3607/4885ALDH1A1 4661/4885

“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.