SCHEMBL2302162

SCHEMBL2302162

O=c1[nH]c2cnccc2n1-c1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP3A4 P08684 5/20 0.55
HSP90AA1 P07900 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNMA1 Q12791 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 2/20 0.36
KIF11 P52732 3/20 0.36
CHUK O15111 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SLC40A1 Q9NP59 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
SCHEMBL2295723 0.88 TGFBR1 (0.70) TGFBR1CYP1A2CYP3A4MAPTMEN1
SCHEMBL12424762 0.80 TGFBR1 (0.35) TGFBR1CYP1A2CYP3A4MAPT
SCHEMBL14877111 0.76 IKBKE (0.49) TGFBR1CYP1A2KIF11CHUKGSK3B
SCHEMBL12090422 0.75 TGFBR1 (0.72) TGFBR1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL1819639 0.75 TGFBR1 (0.59) TGFBR1CYP1A2CYP3A4GABRPGABRD
SCHEMBL12424715 0.71 MPL (0.44) KIF11HCAR2SLC40A1
SCHEMBL247275 0.71 MPL (0.44) KIF11HCAR2SLC40A1
SCHEMBL12441314 0.71 MPL (0.44) KIF11HCAR2SLC40A1
SCHEMBL14877206 0.70 CDC7 (0.46) TGFBR1GSK3BCDK5CDK5R1GSK3A
SCHEMBL2298429 0.70 TRPV1 (0.52) TGFBR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D TGFBR1 3742/4885CYP1A2 1450/4885CYP3A4 828/4885

“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.