SCHEMBL5368137

SCHEMBL5368137

COc1cc(C(=O)O)c(Br)c2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
CDK2 P24941 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.38
MYC P01106 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
SCHEMBL5360890 0.86 KDM4E (0.45) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL9094972 0.84 LCK (0.46) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL1368787 0.83 CYP3A4 (0.51) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL30209179 0.83 CYP3A4 (0.51) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL8281981 0.81 ALDH1A1 (0.45) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL9716376 0.77 KDM4E (0.48) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL9603034 0.77 CYP3A4 (0.43) LCKFYNALDH1A1KDM4ECYP3A4
SCHEMBL9329569 0.77 PKM (0.46) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL18489995 0.76 PKM (0.48) LCKFYNALDH1A1KDM4ECYP3A4
SCHEMBL23660877 0.76 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B LCK 1467/4885FYN 1603/4885ALDH1A1 1073/4885

“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.