SCHEMBL4256230

SCHEMBL4256230

CC(C)n1nc(Cl)c2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MERTK Q12866 3/20 0.34
▸ LRRK2 Q5S007 6/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RICTOR Q6R327 1/20 0.31
▸ RPTOR Q8N122 1/20 0.31

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
SCHEMBL4255983 0.83 CA12 (0.40) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL22518628 0.78 LRRK2 (0.47) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL4266030 0.75 MEN1 (0.39) MAPTNPC1ALDH1A1MERTKLRRK2
SCHEMBL13357884 0.74 AURKA (0.40) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL25123264 0.68 CCNE1 (0.36) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL29991028 0.68 CCNE1 (0.36) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL24856074 0.68 CDK4 (0.46) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL4215510 0.67 CA12 (0.39) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL3631289 0.67 MAPT (0.51) TLR9TP53MAPTNPC1ALDH1A1
SCHEMBL1318618 0.66 PIK3CA (0.34) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 — — US disclosed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 — — EP disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 — — US disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 — — US disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 — — 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 (3 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-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP TLR9 3859/4885TP53 336/4885MAPT 2437/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP TLR9 3859/4885TP53 336/4885MAPT 2437/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS TLR9 3388/4885TP53 9/4885MAPT 3139/4885

“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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