SCHEMBL544340

SCHEMBL544340

Nc1nncn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
EGFR P00533 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
FGFR1 P11362 1/20 0.41
F2 P00734 1/20 0.40
HTT P42858 1/20 0.39
OPRD1 P41143 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
KMT2A Q03164 4/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL23576586 0.80 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL21597614 0.79 NPC1 (0.41) MAPK1MAPTHTTKMT2ANOTUM
SCHEMBL8845189 0.76 TDP1 (0.45) EGFRMAPTNOTUM
SCHEMBL29636320 0.75 ALDH1A1 (0.53) MAPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL28864107 0.74 MAPK1 (0.41) MAPK1TSHRHTTOPRD1SMN1; SMN2
SCHEMBL22827475 0.74 HTT (0.44) MAPK1HTTOPRD1SMN1; SMN2OPRM1
SCHEMBL1151405 0.74 MAPK1 (0.41) MAPK1MAPTFGFR1HTTOPRD1
SCHEMBL10166461 0.74 OPRD1 (0.42) MAPK1MAPTFGFR1HTTOPRD1
SCHEMBL8957749 0.74 MAPK1 (0.41) MAPK1FGFR1HTTOPRD1SMN1; SMN2
SCHEMBL28235351 0.74 MAPK1 (0.49) MAPK1FGFR1HTTOPRD1SMN1; 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12121026-B1 N-[(1-phenyl-4H-1,2,4-triazol-3-yl) carbamothioyl]benzamide as an eco-friendly insecticidal agent against spodoptera littoralis King Faisal University (SA) 2024-10-22 US claimed
US-12121026-B1 N-[(1-phenyl-4H-1,2,4-triazol-3-yl) carbamothioyl]benzamide as an eco-friendly insecticidal agent against spodoptera littoralis King Faisal University (SA) 2024-10-22 US disclosed
US-11998012-B1 N-[(1-phenyl-4H-1,2,4-triazol-3-yl)carbamothioyl]benzamide as an eco-friendly insecticidal agent against Spodoptera littoralis King Faisal University (SA) 2024-06-04 US disclosed
EP-2991128-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2016-03-02 EP disclosed
WO-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP 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 (4 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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 MAPK1 3051/4885EGFR 2722/4885PI4KA 2277/4885
US-11998012-B1 N-[(1-phenyl-4H-1,2,4-triazol-3-yl)carbamothioyl]benzamide as an eco-friendly insecticidal agent against Spodoptera littoralis NIT2, AADAC, SPOUT1 MAPK1 3668/4885EGFR 4819/4885PI4KA 1425/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP MAPK1 2642/4885EGFR 2482/4885PI4KA 1469/4885
US-12121026-B1 N-[(1-phenyl-4H-1,2,4-triazol-3-yl) carbamothioyl]benzamide as an eco-friendly insecticidal agent against spodoptera littoralis NIT2, AADAC, SPOUT1 MAPK1 3668/4885EGFR 4819/4885PI4KA 1425/4885

“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.