SCHEMBL2989381

SCHEMBL2989381

CN(C)Cc1ccc(N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.43
HTR2A P28223 1/20 0.43
PYCR1 P32322 2/20 0.41
SLC6A2 P23975 7/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRKCI P41743 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10324596 0.86 SLC6A4 (0.47) SLC6A4HTR2ASLC6A2LMNACYP1A2
SCHEMBL6003716 0.78 MAPT (0.50) CYP1A2PRKCIGAAMAPTKDM4E
SCHEMBL2174004 0.78 ALDH1A1 (0.48) SLC6A4HTR2APYCR1SLC6A2LMNA
SCHEMBL12203966 0.78 CYP1A2 (0.46) SLC6A4HTR2APYCR1SLC6A2LMNA
SCHEMBL1684387 0.77 MAPT (0.41) PRKCIGAAMAPTKDM4EMEN1
SCHEMBL30599142 0.77 MAPT (0.41) PRKCIGAAMAPTKDM4EMEN1
SCHEMBL1708813 0.77 SLC6A4 (0.50) SLC6A4HTR2ASLC6A2PRKCIGAA
SCHEMBL1343896 0.76 SLC6A4 (0.44) SLC6A4PYCR1SLC6A2LMNAGAA
SCHEMBL22864658 0.76 SLC6A4 (0.51) SLC6A4PYCR1SLC6A2LMNACYP1A2
SCHEMBL3197622 0.76 SLC6A4 (0.54) SLC6A4HTR2APYCR1SLC6A2CYP1A2

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
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK SLC6A4 4045/4885HTR2A 2852/4885PYCR1 1930/4885

“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.