SCHEMBL4829269

SCHEMBL4829269

CCC(C(=O)Nc1ccc(N2C=Nc3sccc3C2N)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ CRHBP P24387 2/20 0.47
▸ CRHR2 Q13324 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC3 O15379 6/20 0.45
▸ HDAC1 Q13547 6/20 0.45
▸ HDAC8 Q9BY41 6/20 0.45
▸ HDAC4 P56524 5/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC11 Q96DB2 3/20 0.45
▸ HDAC9 Q9UKV0 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ ELOVL1 Q9BW60 1/20 0.43

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
SCHEMBL4834612 0.87 BAZ1A (0.41) KCNQ2ALDH1A1SMN1; SMN2POLB
SCHEMBL4828982 0.87 BAZ1A (0.41) KCNQ2ALDH1A1SMN1; SMN2POLB
SCHEMBL4831067 0.78 DDX3X (0.44) ALDH1A1SMN1; SMN2HTTL3MBTL1TP53
SCHEMBL4829077 0.78 NPY2R (0.43) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4829300 0.76 HDAC1 (0.43) ALDH1A1LMNAHDAC3HDAC1ELOVL1
SCHEMBL4826281 0.72 RAB9A (0.48) KCNQ2SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL4833491 0.72 MAOA (0.49) ALDH1A1SMN1; SMN2LMNAHTTHDAC1
SCHEMBL4831435 0.72 NPC1 (0.51) ALDH1A1SMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL4825661 0.70 MAPT (0.48) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL4825766 0.70 MAPK8 (0.47) ALDH1A1SMN1; SMN2POLB

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-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — 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 KCNQ2 2778/4885ALDH1A1 906/4885CRHBP 4238/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KCNQ2 2050/4885ALDH1A1 1144/4885CRHBP 4313/4885

“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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