SCHEMBL4014853

SCHEMBL4014853

COc1ccccc1C(=O)c1nnc(Cl)cc1SC.COc1ccccc1C(=O)c1nnc(Oc2ccc(F)cc2F)cc1SC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
PIN1 Q13526 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL4013203 0.94 TSHR (0.40) TSHRRAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4013244 0.85 TSHR (0.47) TSHRRAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6460469 0.82 ALDH1A1 (0.34) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4015109 0.78 GPR6 (0.39) RAB9AL3MBTL1SCN9ASMN1; SMN2NPC1
SCHEMBL4015504 0.71 L3MBTL1 (0.49) RAB9AALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4017937 0.70 L3MBTL1 (0.46) RAB9AALDH1A1L3MBTL1SCN9ASMN1; SMN2
SCHEMBL8182920 0.66 MAPK14 (0.56) RAB9ASMN1; SMN2NPC1LMNAPKM
SCHEMBL4014150 0.66 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1LMNAPKM
SCHEMBL24683188 0.65 SCN9A (0.43) RAB9AALDH1A1L3MBTL1SCN9ASMN1; SMN2
SCHEMBL31622354 0.65 SCN9A (0.43) RAB9AALDH1A1L3MBTL1SCN9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 TSHR 4181/4885RAB9A 2741/4885ALDH1A1 3313/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 TSHR 1840/4885RAB9A 365/4885ALDH1A1 2726/4885

“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.