SCHEMBL4497587

SCHEMBL4497587

O=c1[nH]c(-c2cc3ccccc3[nH]2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.59
TNKS2 Q9H2K2 7/20 0.59
PARP1 P09874 4/20 0.59
TOP2A P11388 1/20 0.56
TOP2B Q02880 1/20 0.56
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ESR1 P03372 2/20 0.54
GUSB P08236 6/20 0.52
PARP2 Q9UGN5 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDR P35968 2/20 0.52
PDGFRB P09619 1/20 0.52
FGFR1 P11362 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL28633752 0.82 KDR (0.56) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL4501376 0.82 GUSB (0.63) TNKSTNKS2PARP1MAPTGUSB
SCHEMBL924438 0.80 ESR1 (0.71) ALDH1A1HPGDMAPTALOX15HSD17B10
SCHEMBL6695759 0.80 TNKS2 (0.81) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL7256021 0.78 ESR1 (0.54) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL29592833 0.75 TNKS (1.00) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL258433 0.75 TNKS (1.00) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL6885282 0.75 TNKS (0.93) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL26598977 0.75 TNKS2 (0.63) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL6695755 0.75 TNKS2 (0.63) TNKSTNKS2PARP1ALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US claimed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
CN-101460490-A Substituted ring fused azines and their use in cancer therapy AUCKLAND UNISERVICES LTD (NZ) 2009-06-17 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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 TNKS 3290/4885TNKS2 3539/4885PARP1 1470/4885
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 TNKS 116/4885TNKS2 78/4885PARP1 83/4885

“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.