SCHEMBL459050

SCHEMBL459050

O=C1c2ccccc2-c2c1cnc1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CDC25B P30305 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
PTK2B Q14289 2/20 0.44
ESR1 P03372 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AHR P35869 1/20 0.40
IDO1 P14902 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL29641696 1.00 KMT2A (0.44) KMT2AMEN1CDC25BNPC1RAB9A
SCHEMBL1103721 0.93 MEN1 (0.44) KMT2AMEN1CDC25BNPC1RAB9A
SCHEMBL16895263 0.85 DNMT1 (0.46) KMT2AMEN1CDC25BNPC1RAB9A
SCHEMBL6776178 0.85 MAOA (0.56) CDC25BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6781932 0.80 MAPT (0.40) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL29860296 0.80 TOP1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12854093 0.78 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL1649965 0.75 MAOA (0.44) KMT2AMEN1CDC25BSMN1; SMN2MAPT
SCHEMBL8874682 0.74 KDM4E (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL30996234 0.73 KDM4E (0.36) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015120254-A1 DISULFIRAM COMPOSITIONS AND TREATMENTS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM (US) 2015-08-13 WO claimed
US-20250074917-A1 Preparation and Uses of 7-Azaindenoisoquinolines PURDUE RESEARCH FOUNDATION 2025-03-06 US disclosed
CN-119497715-A Preparation and application of 7-aza-indeno isoquinoline 珀杜研究基金会 2025-02-21 CN disclosed
US-20240287089-A1 Preparation and Uses of 7-Azaindenoisoquinolines PURDUE RESEARCH FOUNDATION (US) 2024-08-29 US disclosed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
EP-4389765-A2 METHODS OF PERMEABILIZING THE BLOOD BRAIN BARRIER University of Southern California (US) 2024-06-26 EP disclosed
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-20 US disclosed
EP-4374929-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2024-05-29 EP disclosed
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-04-30 US disclosed
US-11952415-B2 Scaffold proteins AVACTA LIFE SCIENCES LIMITED (GB) 2024-04-09 US disclosed
WO-2008088854-A2 GENETIC MARKERS FOR PREDICTING RESPONSIVENESS TO COMBINATION THERAPY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-07-24 WO disclosed
EP-1436293-B1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY HOFFMANN LA ROCHE (CH) 2006-02-01 EP disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 US disclosed
US-6946472-B2 Polycyclic compounds exhibiting anti-tumor activities HOFFMAN-LA ROCHE INC. (US) 2005-09-20 US disclosed
EP-1436293-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6680326-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2004-01-20 US disclosed
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities F.HOFFMANN-LA ROCHE AG (CH) 2003-12-11 US disclosed
WO-2003093265-A1 DIMERIC POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF TUMORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-13 WO disclosed
US-20030073691-A1 Polycyclic compounds HOFFMANN-LA ROCHE INC. 2003-04-17 US disclosed
WO-2003031444-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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 (9 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-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 KMT2A 4026/4885MEN1 53/4885CDC25B 1706/4885
US-20030073691-A1 Polycyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, PKD1 KMT2A 1200/4885MEN1 593/4885CDC25B 447/4885
US-20250074917-A1 Preparation and Uses of 7-Azaindenoisoquinolines MYC, MYCBP, DNMT1 KMT2A 941/4885MEN1 314/4885CDC25B 348/4885
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, PLIN1 KMT2A 4089/4885MEN1 4696/4885CDC25B 1576/4885
US-11952415-B2 Scaffold proteins TPD52L2, Q6ZSR9, G3BP2 KMT2A 4098/4885MEN1 3239/4885CDC25B 2061/4885
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes SQLE, DHPS, GGPS1 KMT2A 4026/4885MEN1 53/4885CDC25B 1706/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KMT2A 492/4885MEN1 1089/4885CDC25B 145/4885
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities RB1, CCNA1, ACIN1 KMT2A 1567/4885MEN1 999/4885CDC25B 146/4885
US-20240287089-A1 Preparation and Uses of 7-Azaindenoisoquinolines MYC, MYCBP, DNMT1 KMT2A 941/4885MEN1 314/4885CDC25B 348/4885

“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.