SCHEMBL4826345

SCHEMBL4826345

Cc1nnc(C(=O)Nc2ccc(N3CN=c4sccc4=C3N)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.37
▸ RAB9A P51151 8/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ CISD2 Q8N5K1 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL4835290 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2GRM4MEN1
SCHEMBL4828766 0.78 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4826956 0.78 JAK2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4833891 0.77 MAPT (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4825807 0.76 PKM (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4831055 0.76 DDX3X (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4826276 0.75 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4833937 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4833666 0.75 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4835951 0.75 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTPOLBHPGD

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 NPC1 4117/4885RAB9A 3248/4885SMN1; SMN2 4268/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NPC1 4782/4885RAB9A 4166/4885SMN1; SMN2 3836/4885

“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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