SCHEMBL3227702

SCHEMBL3227702

O=c1cc(Oc2ccccc2)c2ccc(Br)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RHEB Q15382 5/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNE2 O96020 1/20 0.41
EIF2AK2 P19525 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41

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
SCHEMBL3227385 0.88 MAPT (0.48) SLC6A4HTR6ALDH1A1HPGDSMN1; SMN2
SCHEMBL3205961 0.87 CYP1A2 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2CCNB2
SCHEMBL2008835 0.83 HPGD (0.54) KDM4EALDH1A1HPGDSMN1; SMN2RHEB
SCHEMBL13429078 0.82 TP53 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2RHEB
SCHEMBL3222448 0.81 CYP1A2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2TNKS2
SCHEMBL29830469 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2CCNB2
SCHEMBL27030415 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2CCNB2
SCHEMBL5469793 0.75 HPGD (0.67) KDM4EALDH1A1HPGDSMN1; SMN2CCNB2
SCHEMBL13429165 0.75 FLT3 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2TNKS2
SCHEMBL13429113 0.75 HPGD (0.57) KDM4EALDH1A1HPGDSMN1; SMN2TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA SLC6A4 2258/4885HTR6 2024/4885KDM4E 728/4885

“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.