SCHEMBL2584317

SCHEMBL2584317

N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
NR3C1 P04150 2/20 0.42
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3527583 0.79 TRPV4 (0.45) MRGPRX4TRPV4KDM4EARMEN1
SCHEMBL2588968 0.78 NR3C1 (0.44) MRGPRX4NR3C1KDM4ELMNANPSR1
SCHEMBL6509894 0.77 TRPV4 (0.43) MRGPRX4TRPV4ARCYP19A1KIF11
SCHEMBL250976 0.73 TRPV4 (0.49) MRGPRX4TRPV4KDM4EARCYP19A1
SCHEMBL3410649 0.72 AR (0.44) MRGPRX4TRPV4ARCYP19A1KIF11
SCHEMBL3525556 0.71 TRPV4 (0.43) MRGPRX4TRPV4ARCYP19A1KIF11
SCHEMBL3055456 0.70 TRPV4 (0.38) MRGPRX4TRPV4ARCYP19A1KIF11
SCHEMBL150285 0.70 CYP2C19 (0.58) NR3C1LMNACYP1A2POLBCYP2D6
SCHEMBL6823718 0.70 NTRK1 (0.40) NR3C1KDM4ELMNANPSR1CYP1A2
SCHEMBL2371259 0.69 AR (0.47) TRPV4KDM4EARALDH1A1KIF11

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
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
CN-102985421-B Naphthridine derivatives as pi3k inhibitors for the treatment of cancer and immune - inflammatory diseases KARUS THERAPEUTICS LTD 2014-12-24 CN 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 MRGPRX4 1239/4885NR3C1 550/4885TRPV4 4102/4885

“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.