Sugi Predict

Sugi Predict / Compounds / SCHEMBL2851341

SCHEMBL2851341

SCHEMBL2851341

COc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc2nc(NC(=O)CN3CCN(C)CC3)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ WNT3A P56704 4/20 0.42
▸ PDE4A P27815 6/20 0.42
▸ PDE4B Q07343 6/20 0.42
▸ PDE4C Q08493 6/20 0.42
▸ PDE4D Q08499 6/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDR P35968 2/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ BRAF P15056 1/20 0.38
▸ ABCB1 P08183 1/20 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
SCHEMBL2853579 0.93 ALDH1A1 (0.41) ALDH1A1POLBWNT3AKDRPDGFRB
SCHEMBL2855354 0.90 KDR (0.49) ALDH1A1POLBWNT3AKMT2AKDR
SCHEMBL2861992 0.90 MEN1 (0.44) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2192616 0.89 ALDH1A1 (0.56) ALDH1A1POLBMEN1KMT2A
SCHEMBL2857842 0.86 BRAF (0.52) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL2858582 0.84 KDR (0.49) ALDH1A1POLBWNT3AKDRPDGFRB
SCHEMBL2853472 0.83 RAB9A (0.47) ALDH1A1POLBMEN1KMT2ANPC1
SCHEMBL2862016 0.82 KDR (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2191802 0.82 ALDH1A1 (0.52) ALDH1A1POLBKMT2A
SCHEMBL2857570 0.82 KDR (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A

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-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 — — EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 — — EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 ALDH1A1 625/4885POLB 4438/4885WNT3A 1631/4885

“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.