SCHEMBL4825639

SCHEMBL4825639

NC1c2ccsc2N=CN1c1ccc(NC(=O)Cc2cccc(SC(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.39
▸ PDE5A O76074 2/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ CRACR2A Q9BSW2 2/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32

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
SCHEMBL4836549 0.84 RAB9A (0.46) MEN1KMT2AMAPTMAPK8CRACR2A
SCHEMBL4836049 0.83 PSEN1 (0.46) NTRK1PDE5AMEN1KMT2AMAPT
SCHEMBL4833604 0.80 MAPK8 (0.44) MEN1KMT2AMAPTMAPK8NPC1
SCHEMBL4825766 0.76 MAPK8 (0.47) NTRK1MEN1KMT2AMAPK8RAB9A
SCHEMBL4825661 0.75 MAPT (0.48) MEN1KMT2AMAPTKDRRAB9A
SCHEMBL4825635 0.73 NTRK1 (0.40) NTRK1PDE5APDE1APDE1BPDE1C
SCHEMBL4825817 0.72 PKM (0.45) NTRK1MEN1KMT2AMAPTKDR
SCHEMBL4826281 0.71 RAB9A (0.48) MEN1KMT2AMAPTKCNQ2NPC1
SCHEMBL4829077 0.70 NPY2R (0.43) MEN1KMT2A
SCHEMBL4825704 0.70 TRPV1 (0.48) MEN1KMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NTRK1 228/4885PDE5A 2866/4885PDE1A 4612/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NTRK1 612/4885PDE5A 2228/4885PDE1A 4439/4885

“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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