SCHEMBL4714552

SCHEMBL4714552

N=C(N)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.60
ALDH1A1 P00352 2/20 0.56
MITF O75030 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
F13A1 P00488 1/20 0.56
TGM2 P21980 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
FURIN P09958 1/20 0.50

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
SCHEMBL13017282 0.84 HPGD (0.56) ALDH1A1MAPK1HTTF13A1TGM2
SCHEMBL3425886 0.83 ALDH1A1 (0.60) PLAUALDH1A1MITFPOLBMAPK1
SCHEMBL4089354 0.83 MITF (0.65) PLAUALDH1A1MITFPOLBMAPK1
SCHEMBL1185724 0.81 SIGMAR1 (0.62) PLAUALDH1A1MITFPOLBMAPT
SCHEMBL4028152 0.80 MAPK1 (0.58) MAPK1SIRT2F2F10LMNA
SCHEMBL10712928 0.79 SIGMAR1 (0.42) PLAUALDH1A1F13A1TGM2RAB9A
Methane SCHEMBL28113069 0.79 SIGMAR1 (0.60) PLAUALDH1A1MITFPOLBMAPT
Bicarbonate SCHEMBL8492631 0.79 NPC1 (0.61) PLAUALDH1A1MITFPOLBRAB9A
Bicarbonate SCHEMBL27820322 0.79 NPC1 (0.61) PLAUALDH1A1MITFPOLBRAB9A
SCHEMBL6392968 0.79 MITF (0.69) PLAUALDH1A1MITFPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107311937-A The licochalcone A dihydro amino-metadiazine compound and its synthetic method of one class tool antitumor activity 陕西科技大学 2017-11-03 CN disclosed
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed
US-6949544-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-27 US disclosed
EP-1373257-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-02 EP disclosed
US-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-08 US disclosed
WO-2002079197-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-10 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-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CDK2, LCK, CDK5 PLAU 3784/4885ALDH1A1 4705/4885MITF 1799/4885

“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.