SCHEMBL18073576

SCHEMBL18073576

COc1c(C)ccc2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.46
NQO2 P16083 6/20 0.46
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.38
STING1 Q86WV6 1/20 0.36
PPARG P37231 1/20 0.36
MCL1 Q07820 1/20 0.35
CA12 O43570 1/20 0.35
PARP1 P09874 1/20 0.35
CA9 Q16790 1/20 0.35
TYMP P19971 1/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL27296153 0.85 ALDH1A1 (0.40) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL10954823 0.83 CYP19A1 (0.58) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27295494 0.81 ALDH1A1 (0.40) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7031010 0.78 STING1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDSTING1
SCHEMBL2919027 0.76 ALDH1A1 (0.49) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9038259 0.72 CYP19A1 (0.59) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14892531 0.71 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL21642314 0.71 GRIN2D (0.46) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL10956862 0.71 ALDH1A1 (0.44) CYP19A1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6395648 0.71 POLB (0.36) KDM4EALDH1A1HPGDCA12PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078660-B1 NOVEL QUINAZOLINE DERIVATIVE MYCHUNTER THERAPEUTICS INC (JP) 2022-07-13 EP disclosed
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
EP-3078660-A1 NOVEL QUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2016-10-12 EP disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 US disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 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-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE WNT1, CTNNB1, CTNND1 CYP19A1 2605/4885NQO2 341/4885KDM4E 2190/4885

“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.