SCHEMBL4836724

SCHEMBL4836724

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(CN(C(N)=O)c3cc(C(F)(F)F)ccc3F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ LTC4S Q16873 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30
▸ MAPT P10636 3/20 0.30
▸ HTT P42858 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ BMP1 P13497 1/20 0.30

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
SCHEMBL4828855 0.88 LTC4S (0.34) P2RX3LTC4SALDH1A1L3MBTL1
SCHEMBL4831092 0.83 LTC4S (0.35) RECQLLTC4SALDH1A1MAPTLMNA
SCHEMBL4836706 0.81 KDR (0.40) RECQLALDH1A1LMNAL3MBTL1
SCHEMBL4828870 0.79 KDR (0.51) MAPT
SCHEMBL4825748 0.77 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL4836717 0.77 LTB4R2 (0.36) LTB4R2RECQLP2RX3SLC2A1MAPT
SCHEMBL4825681 0.75 ALDH1A1 (0.43) ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4825771 0.75 ALOX15 (0.39) ALDH1A1L3MBTL1
SCHEMBL4833641 0.75 ALDH1A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4831211 0.74 ALDH1A1 (0.43) RECQLP2RX3ALDH1A1MAPTHTT

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 9 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 claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
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 LTB4R2 422/4885RECQL 1092/4885P2RX3 1980/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LTB4R2 562/4885RECQL 563/4885P2RX3 444/4885

“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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