SCHEMBL23959786

SCHEMBL23959786

C=C(Nc1cccc2cccnc12)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKBIA P25963 1/20 0.51
RELA Q04206 1/20 0.51
GLO1 Q04760 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDR P35968 3/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HDAC6 Q9UBN7 2/20 0.47
RECQL P46063 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL17552216 0.84 KDR (0.62) TDP1MEN1KMT2AKDM4EPOLB
SCHEMBL30733211 0.84 KDR (0.62) TDP1MEN1KMT2AKDM4EPOLB
SCHEMBL14096433 0.78 ALDH1A1 (0.70) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL23959796 0.74 HDAC6 (0.53) CYP1A2CYP3A4GLO1TDP1MEN1
SCHEMBL23959771 0.74 MAPT (0.60) CYP1A2CYP3A4TDP1MEN1KMT2A
SCHEMBL23959781 0.73 KDR (0.71) CYP1A2CYP3A4TDP1MEN1KMT2A
SCHEMBL24522583 0.73 KDR (0.51) CYP1A2CYP3A4RELATDP1MEN1
SCHEMBL28318668 0.73 GLO1 (0.56) CYP1A2CYP3A4NFKBIARELAGLO1
SCHEMBL27599095 0.72 TDP1 (0.67) CYP1A2CYP3A4TDP1MEN1KMT2A
SCHEMBL6720632 0.72 CYP1A2 (0.65) CYP1A2CYP3A4GLO1TDP1MEN1

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-20210332038-A1 6H-IMIDAZO[4,5,1-ij]QUINOLONE, SYNTHESIS METHOD AND USE THEREOF HANGZHOU NORMAL UNIVERSITY 2021-10-28 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-20210332038-A1 6H-IMIDAZO[4,5,1-ij]QUINOLONE, SYNTHESIS METHOD AND USE THEREOF ABL1, KCNK4, KCNJ4 CYP1A2 239/4885CYP3A4 20/4885NFKBIA 423/4885

“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.