SCHEMBL21050869

SCHEMBL21050869

Cc1ccc(N)c(OCc2ccccc2)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAOB P27338 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
IKBKE Q14164 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19828694 0.83 PTPN1 (0.56) TSHRPOLBPTPN1L3MBTL1MAOB
SCHEMBL28668399 0.81 KDM1A (0.48) POLBPTPN1L3MBTL1MAOBMAPT
SCHEMBL8316680 0.80 MAOB (0.55) TSHRPOLBL3MBTL1MAOBMAPT
SCHEMBL11521229 0.80 PTPN1 (0.52) TSHRPOLBPTPN1L3MBTL1MAOB
SCHEMBL25698194 0.79 BCHE (0.49) PTPN1L3MBTL1MAPTGAAMAPK1
SCHEMBL28092354 0.78 MEN1 (0.40) TSHRPOLBL3MBTL1MAPTGAA
SCHEMBL23339971 0.77 TSHR (0.45) TSHRPOLBPTPN1L3MBTL1MAOB
SCHEMBL9302895 0.77 PTPN1 (0.46) POLBPTPN1L3MBTL1MAOBMAPT
SCHEMBL14228266 0.76 PTPN1 (0.48) TSHRPOLBPTPN1L3MBTL1MAOB
SCHEMBL24819317 0.75 MAPT (0.61) TSHRPOLBPTPN1L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 TSHR 2965/4885POLB 1476/4885PTPN1 1359/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 TSHR 2965/4885POLB 1476/4885PTPN1 1359/4885

“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.