SCHEMBL5620170

SCHEMBL5620170

Oc1cccc(Oc2n[c]ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.41
APP P05067 1/20 0.40
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
RAF1 P04049 1/20 0.34

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
SCHEMBL5620124 0.83 RAB9A (0.49) MEN1KMT2ARAB9AAPPMAPT
SCHEMBL5620214 0.81 KMT2A (0.38) MEN1KMT2AMAPTHTTGAA
SCHEMBL5619305 0.80 MEN1 (0.45) MEN1KMT2ALMNAESR1ESR2
SCHEMBL4982523 0.80 MEN1 (0.41) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL5619429 0.78 L3MBTL1 (0.44) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL5619300 0.77 LTA4H (0.43) MEN1KMT2ARAB9AGAALMNA
SCHEMBL5618408 0.73 TRPA1 (0.38) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL5619272 0.71 MEN1 (0.41) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL5619294 0.71 GAA (0.43) MEN1KMT2ARAB9AAPPMAPT
SCHEMBL813557 0.71 CYP3A4 (0.58) MEN1KMT2AAPPMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US claimed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 US claimed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US claimed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 US claimed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 US claimed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 US claimed
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO claimed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 US disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 US disclosed
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 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 (4 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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 MEN1 1976/4885KMT2A 2324/4885RAB9A 1476/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 MEN1 3208/4885KMT2A 2253/4885RAB9A 1452/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 MEN1 3208/4885KMT2A 2253/4885RAB9A 1452/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 MEN1 4362/4885KMT2A 2984/4885RAB9A 1907/4885

“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.