SCHEMBL3380655

SCHEMBL3380655

Cc1ccc(-c2cc(-c3nccc4c(N)nccc34)c3cccnc3n2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
PKM P14618 8/20 0.40
MAPT P10636 8/20 0.40
KDM4E B2RXH2 8/20 0.40
HPGD P15428 8/20 0.40
GAA P10253 5/20 0.40
CASP1 P29466 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GLA P06280 4/20 0.40
ALOX15 P16050 3/20 0.40
CASP7 P55210 3/20 0.40
LMNA P02545 3/20 0.40
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
ADORA2B P29275 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
ALOX12 P18054 6/20 0.38
USP2 O75604 2/20 0.38
HTT P42858 3/20 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
SCHEMBL14884401 0.80 TGFBR1 (0.40) TGFBR1
SCHEMBL3382847 0.79 TGFBR1 (0.40) KDM4EHPGDGAAGLAADORA2A
Hydrochloric Acid SCHEMBL14876603 0.79 TGFBR1 (0.40) TGFBR1
SCHEMBL243475 0.76 F2 (0.43) KDM4EADORA2AADORA1TGFBR1
SCHEMBL3386508 0.76 TGFBR1 (0.39) TGFBR1
SCHEMBL3384665 0.76 HSP90AA1 (0.41) ALDH1A1ADORA2AADORA1TGFBR1
Hydrochloric Acid SCHEMBL244877 0.75 F2 (0.42) KDM4EADORA2AADORA1TGFBR1
SCHEMBL3393145 0.74 IDO1 (0.38) LMNAHTTTGFBR1
SCHEMBL3390281 0.73 IDO1 (0.38) TGFBR1
Hydrochloric Acid SCHEMBL14876669 0.73 IDO1 (0.38) LMNAHTTTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 ALDH1A1 2357/4885PKM 1501/4885MAPT 4149/4885

“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.