SCHEMBL4836263

SCHEMBL4836263

O=C(Cl)C1(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AKR1C3 P42330 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
AKR1C2 P52895 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
OPRM1 P35372 1/20 0.47
CCR2 P41597 1/20 0.44
SLC6A4 P31645 8/20 0.43
SLC6A3 Q01959 8/20 0.43
HDAC1 Q13547 2/20 0.43
SLC6A2 P23975 5/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL301864 0.85 APP (0.66) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL13365220 0.83 SLC6A4 (0.51) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL3516988 0.78 AKR1C3 (0.58) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL2795429 0.78 AKR1C3 (0.58) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL3554737 0.78 HSD11B1 (0.58)
SCHEMBL10080630 0.77 POLB (0.46) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL11106003 0.77 LMNA (0.53) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL1350 0.77 SLC6A4 (0.49) APPCYP3A4CYP2C9CYP2C19AKR1C3
SCHEMBL7371362 0.77 CHRM2 (0.49) OPRM1CCR2SLC6A4SLC6A3SLC6A2
SCHEMBL8242396 0.77 LMNA (0.56) OPRM1CCR2SLC6A4SLC6A3SLC6A2

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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK APP 4751/4885CYP3A4 2352/4885CYP2C9 2843/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR APP 3888/4885CYP3A4 1914/4885CYP2C9 2123/4885

“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.