SCHEMBL2590977

SCHEMBL2590977

Clc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1-c1cc2ncccc2c(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
MAPK1 P28482 3/20 0.45
METAP1 P53582 2/20 0.45
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MTOR P42345 3/20 0.40
PIK3CA P42336 2/20 0.40
GBA1 P04062 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
SCHEMBL2577487 0.86 MAPK1 (0.48) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2588951 0.82 MAPK1 (0.45) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2588987 0.82 METAP1 (0.47) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2586693 0.82 CRHR1 (0.38) METAP1CYP2D6TSHRCYP2C19
SCHEMBL14902650 0.80 ALOX15 (0.47) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2589305 0.80 PIK3CA (0.48) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2586562 0.77 ALOX15 (0.45) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2587341 0.74 ALOX15 (0.45) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL2589911 0.73 SYK (0.47) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2
SCHEMBL14902608 0.71 MAPK1 (0.47) ALOX15MAPK1METAP1ALDH1A1SMN1; SMN2

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
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
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
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
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 ALOX15 2354/4885MAPK1 63/4885METAP1 4495/4885

“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.