SCHEMBL4826850

SCHEMBL4826850

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HSD11B1 P28845 6/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ DPP4 P27487 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4834360 0.88 RAB9A (0.38) SMN1; SMN2MAPTMEN1KMT2AMCOLN3
SCHEMBL4833458 0.88 HSD11B1 (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4834204 0.87 ALDH1A1 (0.40) SMN1; SMN2MAPTMEN1KMT2AMCOLN3
SCHEMBL4825775 0.85 HSD11B1 (0.46) MAPTALDH1A1RAB9APTGS1PTGS2
SCHEMBL4831404 0.84 RAB9A (0.37) SMN1; SMN2MAPTMEN1KMT2AMCOLN3
SCHEMBL4833193 0.84 POLB (0.39) SMN1; SMN2KMT2AALDH1A1RAB9AHSD11B1
SCHEMBL4833641 0.83 ALDH1A1 (0.49) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4833542 0.82 ALDH1A1 (0.39) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4829331 0.81 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1HSD11B1
SCHEMBL4833680 0.80 ALDH1A1 (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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 SMN1; SMN2 4268/4885MAPT 2499/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR SMN1; SMN2 3836/4885MAPT 2424/4885MEN1 1454/4885

“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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