SCHEMBL7797440

SCHEMBL7797440

NC(=O)CNc1nc(Cc2ccc3c(c2)OCO3)c2c(N)c(Cl)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.40
CHRM4 P08173 2/20 0.40
LTB4R Q15722 1/20 0.39
LMNA P02545 2/20 0.39
IGFBP3 P17936 1/20 0.39
PDE5A O76074 2/20 0.38
ALDH2 P05091 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC2A1 P11166 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL7797896 0.87 HSP90AB1 (0.51) HSP90AB1CHRM4LTB4RSLC2A1ALDH1A1
SCHEMBL7794741 0.85 CHRM4 (0.42) HSP90AB1CHRM4LTB4RLMNAIGFBP3
SCHEMBL9094776 0.84 LTB4R (0.41) HSP90AB1CHRM4LTB4RLMNAIGFBP3
SCHEMBL8862704 0.81 LTB4R (0.46) HSP90AB1CHRM4LTB4RIGFBP3SLC2A1
SCHEMBL27379780 0.81 SLC2A1 (0.47) HSP90AB1LTB4RSLC2A1ALDH1A1
SCHEMBL7794333 0.80 KMT2A (0.45) HSP90AB1CHRM4LTB4RMEN1KMT2A
SCHEMBL27355398 0.77 ALDH1A1 (0.43) CHRM4LTB4RLMNAPDE5AMEN1
SCHEMBL7794732 0.77 PDE4A (0.49) HSP90AB1LTB4RLMNAPDE5AMEN1
SCHEMBL149749 0.75 PDE4A (0.57) HSP90AB1LTB4RLMNAIGFBP3PDE5A
SCHEMBL8862871 0.75 HSP90AB1 (0.40) HSP90AB1CHRM4LTB4RIGFBP3SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 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 (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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 HSP90AB1 2725/4885CHRM4 3789/4885LTB4R 1536/4885

“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.