SCHEMBL2855671

SCHEMBL2855671

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C#N)c(Oc3ccc(N)cn3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.57
CYP2C9 P11712 5/20 0.53

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
SCHEMBL2853805 0.90 BRAF (0.65) BRAFCYP2C9
SCHEMBL2851503 0.90 BRAF (0.61) BRAFCYP2C9
SCHEMBL2853201 0.90 BRAF (0.57) BRAFCYP2C9
SCHEMBL2853431 0.89 BRAF (0.56) BRAFCYP2C9
SCHEMBL2849315 0.88 BRAF (0.55) BRAFCYP2C9
SCHEMBL2854041 0.87 BRAF (0.54) BRAFCYP2C9
SCHEMBL2851320 0.86 BRAF (0.60) BRAFCYP2C9
SCHEMBL2853965 0.84 BRAF (0.48) BRAFCYP2C9
SCHEMBL2857370 0.79 BRAF (0.48) BRAFCYP2C9
SCHEMBL826173 0.79 BRAF (0.56) BRAFCYP2C9

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555742-B1 Process for the preparation of fluorchlorhydrocarbon-free flexible polyurethane foams using urethane groups containing polyisocyanate blends based on diphenylmethane-diisocyanate as well as likewise modified polyisocyanate blends BASF AG (DE) 1998-05-06 EP claimed
EP-0538673-B1 Clear, vapour-sterilisable, non-zytotoxic, essentially compact polyurethane casting compounds, process for their preparation and their use, especially for medical-technical articles BASF AG (DE) 1998-01-07 EP claimed
EP-0555742-A2 Process for the preparation of fluorchlorhydrocarbon-free flexible polyurethane foams using urethane groups containing polyisocyanate blends based on diphenylmethane-diisocyanate as well as likewise modified polyisocyanate blends BASF Aktiengesellschaft (DE) 1993-08-18 EP claimed
EP-0538673-A2 Clear, vapour-sterilisable, non-zytotoxic, essentially compact polyurethane casting compounds, process for their preparation and their use, especially for medical-technical articles BASF Aktiengesellschaft (DE) 1993-04-28 EP claimed
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
EP-0708127-B2 Process for the preparation of rigid polyurethane foams having reduced thermal conductivity BASF POLYURETHANES GMBH (DE) 2010-11-10 EP 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-0952169-B1 Process for the preparation of polyurethane rigid foams with reduced heat conductivity and their use BASF AG (DE) 2005-12-07 EP disclosed
EP-1088841-B1 Polyurethane embedding compositions, in particular for items for medical engineering BASF AG (DE) 2005-04-06 EP disclosed
EP-1088840-B1 Clear, steam-sterilisable, non-cytotoxic polyurethane casting compostitions, process for their preparation and their use, especially for medical-technical articles BASF AG (DE) 2004-12-15 EP disclosed
EP-0280354-A1 UV irradiation system and process for developing it den Dekker, Gerardus Matthijs (NL) 1988-08-31 EP disclosed
EP-0262378-A2 Process for the production of elastic essentially compact polyurethane mouldings with improved mould release properties BASF Aktiengesellschaft (DE) 1988-04-06 EP disclosed
EP-0260685-A1 Internal mould release agents, their use in the preparation of moulded pieces according to the polyisocyanate-polyaddition process, and process for the preparation of moulded pieces BASF Aktiengesellschaft (DE) 1988-03-23 EP disclosed
EP-0254177-A2 Moisture-curable, storage-stable one-component polyurethane systems and their use BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed
EP-0218175-A2 Process for the preparation of cellular or compact polyurethane-polyurea moulded parts with mould release properties, as well as internal mould release agents and their use in the polyisocyanate-polyaddition process BASF Aktiengesellschaft (DE) 1987-04-15 EP disclosed
EP-0111121-B1 LIQUID POLYSOCYANATE MIXTURES CONTAINING URETHANE GROUPS ON THE BASIS OF DIPHENYLMETHANE DIISOCYANATE, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE IN THE PREPARATION OF FLEXIBLE POLYURETHANE FOAMS BASF Aktiengesellschaft (DE) 1986-08-06 EP disclosed
EP-0124071-A2 Process for the production of elastic, compact or cellular polyurethanes BASF Aktiengesellschaft (DE) 1984-11-07 EP disclosed
EP-0111121-A1 Liquid polysocyanate mixtures containing urethane groups on the basis of diphenylmethane diisocyanate, process for the preparation thereof and their use in the preparation of flexible polyurethane foams BASF Aktiengesellschaft (DE) 1984-06-20 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 BRAF 1/4885CYP2C9 2054/4885

“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.