SCHEMBL22064123

SCHEMBL22064123

C=C/C=C\C(=C/C)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FERMT2 Q96AC1 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT5B Q4FZB7 1/20 0.44

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
SCHEMBL27953778 0.73 CYP1A2 (0.59) NR4A2CYP1A2MAPTKDM4ERAB9A
SCHEMBL12840976 0.71 CYP1A2 (0.68) NR4A2CYP1A2MAPTKDM4EGAA
SCHEMBL23904649 0.71 CYP1A2 (0.68) NR4A2CYP1A2MAPTKDM4EMAPK1
SCHEMBL27831667 0.70 CYP1A2 (0.70) NR4A2CYP1A2MAPTKDM4EKMT2A
SCHEMBL23070410 0.70 CYP1A2 (0.70) NR4A2CYP1A2MAPTKDM4EKMT2A
SCHEMBL30016254 0.70 CYP1A2 (0.70) NR4A2CYP1A2MAPTKDM4EKMT2A
SCHEMBL23340187 0.69 CYP1A2 (0.64) NR4A2CYP1A2MAPTKDM4EGAA
SCHEMBL30028448 0.68 CYP1A2 (0.68) NR4A2CYP1A2MAPTKDM4EGAA
SCHEMBL2455864 0.68 CYP1A2 (0.68) NR4A2CYP1A2MAPTKDM4EGAA
SCHEMBL7656126 0.68 MAPT (0.63) NR4A2CYP1A2MAPTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360365-A1 SUBSTITUTED HALO-QUINOLINE DERIVATES FOR USE IN THE TREATMENT OF LYMPHOMAS AND LEUKEMIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-19 — — US disclosed
US-20200181089-A1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS Université Côte d'Azur (FR) 2020-06-11 — — 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 (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-20200181089-A1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS CD274, PDCD1, PDCD1LG2 NR4A2 1545/4885CYP1A2 820/4885MAPT 1427/4885
US-20200360365-A1 SUBSTITUTED HALO-QUINOLINE DERIVATES FOR USE IN THE TREATMENT OF LYMPHOMAS AND LEUKEMIA MCL1, BCL6, BCL6B NR4A2 2602/4885CYP1A2 171/4885MAPT 4528/4885

“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.

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