SCHEMBL2579416

SCHEMBL2579416

Nc1cccc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.65
KDR P35968 3/20 0.59
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
RAF1 P04049 5/20 0.56
ARAF P10398 1/20 0.56
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49

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
SCHEMBL2590020 0.92 BRAF (0.58) BRAFKDRHDAC1HDAC3HDAC4
SCHEMBL2579421 0.89 KDR (0.74) BRAFKDRRAF1
SCHEMBL2582322 0.87 BRAF (0.62) BRAFKDRHDAC1HDAC3HDAC4
SCHEMBL2584007 0.87 BRAF (0.62) BRAFKDRHDAC1HDAC3HDAC4
SCHEMBL2579543 0.86 BRAF (0.61) BRAFKDRHDAC1HDAC3HDAC4
SCHEMBL2581374 0.83 KDR (0.65) BRAFKDRRAF1RET
SCHEMBL2581543 0.80 BRAF (0.55) BRAFKDRRAF1RET
SCHEMBL2579573 0.80 BRAF (0.55) BRAFKDRRAF1RET
SCHEMBL4475606 0.79 BRAF (1.00) BRAF
SCHEMBL2576492 0.77 RAF1 (0.54) BRAFKDRRAF1ARAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US claimed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US claimed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 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-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME NRAS, SFPQ, TYR BRAF 29/4885KDR 1517/4885HDAC1 530/4885

“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.