SCHEMBL2586562

SCHEMBL2586562

FC(F)(F)c1cc(-c2cc3ncccc3c(N3CCOCC3)n2)ccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
CYP2D6 P10635 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 2/20 0.45
METAP1 P53582 2/20 0.45
SYK P43405 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CA P42336 6/20 0.40
MTOR P42345 3/20 0.40
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2588987 0.87 METAP1 (0.47) ALOX15CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2577487 0.84 MAPK1 (0.48) ALOX15CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2584861 0.81 SYK (0.38) METAP1SYKMAPT
SCHEMBL2580739 0.81 ALOX15 (0.47) ALOX15CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL14902606 0.81 ALOX15 (0.47) ALOX15CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2590977 0.77 ALOX15 (0.45) ALOX15CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2589911 0.73 SYK (0.47) ALOX15MAPK1METAP1SYKALDH1A1
SCHEMBL14900561 0.72 SYK (0.53) ALOX15TSHRUSP2MAPK1METAP1
SCHEMBL2588826 0.72 PIK3CD (0.57) ALOX15MAPK1METAP1SYKALDH1A1
SCHEMBL14902608 0.71 MAPK1 (0.47) ALOX15CYP1A2CYP3A4TSHRCYP2C19

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 2354/4885CYP1A2 1233/4885CYP3A4 1271/4885

“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.