SCHEMBL2587871

SCHEMBL2587871

COc1cccc(-c2cc3ncccc3c(Cl)n2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PGK1 P00558 1/20 0.41
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.39
BRAF P15056 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11380646 0.85 SYK (0.58) SYKSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL523765 0.82 SYK (0.64) SYK
SCHEMBL4766383 0.82 ADORA2A (0.46) SYKSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL17210724 0.78 PDGFRB (0.43) SYKPDGFRBPDGFRAPGK1
SCHEMBL524226 0.77 SYK (0.55) SYKL3MBTL1
SCHEMBL2589917 0.77 MAPK1 (0.55) SYKSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL3284282 0.74 SYK (0.60) SYKSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3280663 0.74 SYK (0.71) SYKNPC1ALDH1A1TP53MAPT
SCHEMBL11370853 0.73 SYK (0.62) SYKSMN1; SMN2ALDH1A1ADORA2APDGFRB
SCHEMBL10196451 0.72 SYK (1.00) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266879-B2 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTIC LIMITED (GB) 2016-02-23 US disclosed
US-9266879-B2 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTIC LIMITED (GB) 2016-02-23 US disclosed
US-9266879-B2 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTIC LIMITED (GB) 2016-02-23 US disclosed
EP-2563788-B1 NAPHTHRIDINE DERIVATIVES AS PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNE-INFLAMMATORY DISEASES KARUS THERAPEUTICS LTD (GB) 2015-08-05 EP disclosed
US-20130109688-A1 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTICS LIMITED (UK) 2013-05-02 US disclosed
US-20130109688-A1 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTICS LIMITED (UK) 2013-05-02 US disclosed
US-20130109688-A1 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease KARUS THERAPEUTICS LIMITED (UK) 2013-05-02 US disclosed
CN-102985421-A Naphthridine derivatives as pi3k inhibitors for the treatment of cancer and immune - inflammatory diseases KARUS THERAPEUTICS LTD 2013-03-20 CN disclosed
EP-2563788-A1 NAPHTHRIDINE DERIVATIVES AS PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNE - INFLAMMATORY DISEASES Karus Therapeutics Limited (GB) 2013-03-06 EP disclosed
WO-2011135351-A1 NAPHTHRIDINE DERIVATIVES AS PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNE - INFLAMMATORY DISEASES KARUS THERAPEUTICS LIMITED (GB) 2011-11-03 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-20130109688-A1 Naphthridine derivatives as PI3K inhibitors for the treatment of cancer and immune-inflammatory disease PIK3R5, PIK3CA, NFKBIA SYK 140/4885SMN1; SMN2 3274/4885NPC1 479/4885

“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.