SCHEMBL2587216

SCHEMBL2587216

Clc1cc(NCc2ccccc2)ccc1-c1cc2ncccc2c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MAPK1 P28482 2/20 0.43
PLK4 O00444 2/20 0.43
CHEK1 O14757 2/20 0.43
JAK2 O60674 2/20 0.43
ROCK2 O75116 2/20 0.43
EGFR P00533 2/20 0.43
CSF1R P07333 2/20 0.43
RET P07949 2/20 0.43
PIM1 P11309 2/20 0.43
FGFR1 P11362 2/20 0.43
PRKACA P17612 2/20 0.43
CDK2 P24941 2/20 0.43
TYK2 P29597 2/20 0.43
AKT1 P31749 2/20 0.43
KDR P35968 2/20 0.43
FLT3 P36888 2/20 0.43
GSK3B P49841 2/20 0.43
JAK3 P52333 2/20 0.43
PTK6 Q13882 2/20 0.43

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
SCHEMBL27897768 0.84 NPY5R (0.43) NPC1EGFRKDRPKMCDK1
SCHEMBL2588951 0.82 MAPK1 (0.45) MAPK1PLK4CYP1A2CYP3A4CYP2D6
SCHEMBL2586693 0.78 CRHR1 (0.38) ROCK2PIM1PRKACACDK2GSK3B
SCHEMBL2590914 0.78 PKM (0.48) NPC1MAPK1PLK4CHEK1JAK2
SCHEMBL14902649 0.74 ALDH1A1 (0.44) NPC1MAPK1TSHRL3MBTL1
SCHEMBL6519039 0.73 NTRK1 (0.47) NPC1MAPK1PLK4CHEK1JAK2
SCHEMBL18415527 0.71 NPC1 (0.76) NPC1NTRK1NTRK3NTRK2MET
Bromide SCHEMBL2566520 0.70 NPC1 (0.74) NPC1NTRK1NTRK3NTRK2MET
SCHEMBL11511690 0.67 MEN1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19DHFR
SCHEMBL2588865 0.67 SYK (0.48)

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
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
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 NPC1 479/4885MAPK1 63/4885PLK4 171/4885

“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.