SCHEMBL3073397

SCHEMBL3073397

Nc1ccc2c(N)ccnc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.66
SOS2 Q07890 1/20 0.66
NCF1 P14598 1/20 0.57
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EGFR P00533 6/20 0.42
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL30044428 1.00 NR4A2 (0.66) NR4A2SOS2NCF1HTTKDM4E
SCHEMBL30210360 0.83 NR4A2 (0.66) NR4A2SOS2NCF1HTTKDM4E
SCHEMBL4823097 0.83 NR4A2 (0.66) NR4A2SOS2NCF1HTTKDM4E
Bromide SCHEMBL5989384 0.81 NR4A2 (0.63) NR4A2SOS2NCF1HTTKDM4E
SCHEMBL3063873 0.79 CCR1 (0.48) NR4A2SOS2HTTKDM4EALDH1A1
SCHEMBL624006 0.79 NR4A2 (0.61) NR4A2SOS2NCF1ALDH1A1ACHE
SCHEMBL3319590 0.79 NR4A2 (0.61) NR4A2SOS2NCF1HTTHSP90AA1
SCHEMBL31452673 0.79 NR4A2 (0.61) NR4A2SOS2NCF1KDM4EALDH1A1
SCHEMBL31285386 0.79 NR4A2 (0.61) NR4A2SOS2NCF1HTTEGFR
SCHEMBL596040 0.79 NR4A2 (1.00) NR4A2SOS2NCF1ALDH1A1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530938-B Compounds for the treatment of diseases caused by retroviruses ABIVAX公司 2019-10-22 CN claimed
CN-104945379-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2018-11-30 CN claimed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN claimed
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 US disclosed
CN-116354879-A Benzamide derivative and application thereof 中国药科大学 2023-06-30 CN disclosed
CN-106928194-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-11-12 CN disclosed
CN-105530938-B Compounds for the treatment of diseases caused by retroviruses ABIVAX公司 2019-10-22 CN disclosed
CN-106905232-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-09-27 CN disclosed
CN-106928205-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-09-24 CN disclosed
CN-109776496-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-05-21 CN disclosed
CN-104844510-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-04-23 CN disclosed
CN-104844570-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2018-11-02 CN disclosed
CN-106928205-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-07-07 CN disclosed
CN-106928194-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-07-07 CN disclosed
CN-106905232-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-06-30 CN disclosed
US-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 US disclosed
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 EP disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 WO disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN 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 (2 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 NR4A2 2191/4885SOS2 3361/4885NCF1 494/4885
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 NR4A2 4008/4885SOS2 4485/4885NCF1 1511/4885

“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.