SCHEMBL2108667

SCHEMBL2108667

C[C@@H](Cl)c1ccncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
RPS6KA3 P51812 1/20 0.38
CDC25B P30305 1/20 0.36
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIMK1 P53667 1/20 0.32
HPGD P15428 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
SCHEMBL4408576 1.00 GAA (0.45) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL84373 0.84 GAA (0.46) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL27961321 0.81 GAA (0.43) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL2495086 0.81 GAA (0.43) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL26917035 0.81 LMNA (0.48) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL2111078 0.81 GAA (0.43) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL13028991 0.81 LMNA (0.48) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL14121041 0.81 LMNA (0.48) GAACYP3A4CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29858008 0.79 LMNA (0.47) GAACYP3A4CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26916994 0.79 LMNA (0.47) GAACYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158785-B2 5,7-disubstituted[1.3]thiazolo [4,5-D] pyrimidin-2(3H)-amine derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158785-B2 5,7-disubstituted[1.3]thiazolo [4,5-D] pyrimidin-2(3H)-amine derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158785-B2 5,7-disubstituted[1.3]thiazolo [4,5-D] pyrimidin-2(3H)-amine derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-04-17 US disclosed
CN-101522693-B Novel 5,7-disubstituted [1, 3] thiazolo [4, 5] pyrimidin-2 (3h)-amine deirvatives and their use in therapy ASTRAZENECA AB 2012-01-04 CN disclosed
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2010-02-11 US disclosed
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2010-02-11 US disclosed
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2010-02-11 US disclosed
WO-2008039139-A1 NOVEL 5,7-DISUBSTITUTED [1, 3] THIAZOLO [4, 5] PYRIMIDIN-2 (3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 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 (1 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-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY CX3CR1, CCR2, CXCR3 GAA 4412/4885CYP3A4 1445/4885CYP2D6 1092/4885

“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.