SCHEMBL294392

SCHEMBL294392

CCCCc1c[c]ncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
HTR1D P28221 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 2/20 0.36
SKP2 Q13309 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL1981573 0.94 TDP1 (0.46) TDP1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL28842484 0.92 TDP1 (0.44) TDP1L3MBTL1LMNAALDH1A1HSD17B10
SCHEMBL295105 0.92 TDP1 (0.44) TDP1L3MBTL1LMNAALDH1A1HSD17B10
SCHEMBL2251105 0.88
SCHEMBL12468899 0.81 SIGMAR1 (0.43) LMNA
SCHEMBL972354 0.79
SCHEMBL511972 0.78 HRH1 (0.34)
SCHEMBL7460494 0.75
SCHEMBL4824620 0.75
SCHEMBL15322447 0.73 HRH3 (0.50) NPSR1TSHRHSD17B10CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
EP-2178373-B1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-01-23 EP claimed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US claimed
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 CN disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 EP disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 US disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed
CN-112654608-A Condensed ring compounds having urea structure 桑福德伯纳姆普利斯医学发现研究所 2021-04-13 CN disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US 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 (5 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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT TDP1 3766/4885L3MBTL1 2798/4885HTT 199/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT TDP1 3766/4885L3MBTL1 2798/4885HTT 199/4885
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 TDP1 50/4885L3MBTL1 579/4885HTT 1094/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 TDP1 957/4885L3MBTL1 1941/4885HTT 204/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 TDP1 1863/4885L3MBTL1 1134/4885HTT 2889/4885

“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.