SCHEMBL2862228

SCHEMBL2862228

CC(=O)Nc1nc2ccc(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4Cl)ccc3C)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
BRAF P15056 6/20 0.47
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 4/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
DYRK1A Q13627 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2853585 0.92 KDR (0.39) KDRBRAFPDGFRBKITFLT1
SCHEMBL2855475 0.92 KDR (0.41) KDRBRAFPDGFRBKITFLT1
SCHEMBL2855441 0.91 KDR (0.51) KDRBRAFPDGFRBKITFLT1
SCHEMBL2853807 0.89 RAF1 (0.40) KDRBRAFFLT1MAPTPTGES
SCHEMBL2851200 0.88 KDR (0.50) KDRBRAFPDGFRBKITFLT1
SCHEMBL2858590 0.86 ALDH1A1 (0.41) KDRBRAFPDGFRBKITFLT1
SCHEMBL2849273 0.83 KDR (0.53) KDRBRAFPDGFRBKITFLT1
SCHEMBL2875503 0.81 KDR (0.55) KDRBRAFPDGFRBKITFLT1
SCHEMBL2858538 0.79 BRAF (0.70) KDRBRAFPDGFRBKITABL1
SCHEMBL2853460 0.79 KDR (0.47) KDRBRAFPDGFRBKITFLT1

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
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

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 KDR 983/4885BRAF 1/4885PDGFRB 1509/4885

“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.