SCHEMBL4825722

SCHEMBL4825722

COc1ccc(N2C(C(=O)N(C3CCCCC3)C3CCCCC3)=Nc3occc3C2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ CCR1 P32246 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ SLC6A9 P48067 2/20 0.35
▸ P2RX3 P56373 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL4831362 0.82 ALDH1A1 (0.38) KDM4EMEN1KMT2A
SCHEMBL4835767 0.82 MAPT (0.36) P2RX3KDM4EMEN1LMNAKMT2A
SCHEMBL4825838 0.79 RAB9A (0.38) KDM4ELMNACYP3A4CYP2C19
SCHEMBL4833411 0.79 TRPM8 (0.36) S1PR1S1PR3TRPM8CCR1CCR2
SCHEMBL4836749 0.77 RAB9A (0.40) KDM4EMEN1ALOX15KMT2A
SCHEMBL4833732 0.77 BACE1 (0.34) P2RX3KDM4EMEN1KMT2ABACE1
SCHEMBL4829400 0.76 ACHE (0.34) TRPM8P2RX3KDM4EMEN1KMT2A
SCHEMBL4834267 0.76 POLB (0.34) P2RX3KDM4EMEN1KMT2ACYP3A4
SCHEMBL4831338 0.75 RAB9A (0.41) KDM4EMEN1ALOX12KMT2A
SCHEMBL4834062 0.75 SMN1; SMN2 (0.44) KDM4EMEN1LMNAKMT2ACYP3A4

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-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

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 S1PR1 942/4885S1PR3 1053/4885TRPM8 4154/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR S1PR1 1402/4885S1PR3 1192/4885TRPM8 4493/4885

“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.

Send feedback