SCHEMBL6230652

SCHEMBL6230652

Nc1cc2c(cc1N)-c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 4/20 0.61
TP53 P04637 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PTPRC P08575 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
S100A4 P26447 3/20 0.59
APAF1 O14727 3/20 0.59
HTT P42858 3/20 0.59
GALK1 P51570 3/20 0.59
BLM P54132 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
PLA2G1B P04054 3/20 0.59

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
SCHEMBL6029304 0.95 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1143212 0.86 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL3698733 0.86 MCL1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL14629464 0.86 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL12124166 0.82 PTK2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL8205250 0.81 MCL1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL30804365 0.80 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL8777800 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL30804366 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL8770711 0.80 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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-108504089-B High-strength wear-resistant plastic material and preparation method thereof 深圳市华万彩实业有限公司 2020-12-18 CN claimed
CN-108504089-B High-strength wear-resistant plastic material and preparation method thereof 深圳市华万彩实业有限公司 2020-12-18 CN disclosed
EP-1309563-B1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-05-11 EP disclosed
EP-1309563-A1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES Agouron Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
US-6462060-B2 MEDIATING TYROSINE KINASE SIGNAL TRANSDUCTION; TREATING TUMOR GROWTH, CELL PROLIFERATION, OR ANGIOGENESIS AGOURON PHARMACEUTICALS, INC. 2002-10-08 US disclosed
US-20020049238-A1 Heterocyclic-hydroxyimino-fluorene nuclei compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CHONG WESLEY KWON MUNG (US) 2002-04-25 US disclosed
WO-2002016326-A1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-28 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-20020049238-A1 Heterocyclic-hydroxyimino-fluorene nuclei compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CHUK, BRAF, UACA NPC1 3322/4885RAB9A 2145/4885SMN1; SMN2 4093/4885

“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.