SCHEMBL1856161

SCHEMBL1856161

C[C@H](O)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
MAPK1 P28482 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
DGAT1 O75907 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
UGT2B7 P16662 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL594060 1.00 CYP3A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29515201 1.00 CYP3A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL31247720 0.83 CYP3A4 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14101720 0.83 CYP3A4 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23474122 0.82 CYP3A4 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1090665 0.82 SMN1; SMN2 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4252351 0.80 SMN1; SMN2 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1856238 0.80 SMN1; SMN2 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22562669 0.80 CYP3A4 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15643867 0.80 SMN1; SMN2 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 23 patents — showing the first 20. 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
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 EP disclosed
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 EP disclosed
CN-101516893-B 5, 7-disubstituted [1,3] thiazolo [4,5-D ] pyrimidin-2 (3H) -one derivatives and their use in therapy ASTRAZENECA AB (SE) 2011-11-30 CN disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 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
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
CN-101522693-A Novel 5,7-disubstituted [1, 3] thiazolo [4, 5] pyrimidin-2 (3h)-amine deirvatives and their use in therapy ASTRAZENECA AB (SE) 2009-09-02 CN disclosed
CN-101516893-A Novel 5, 7-disubstituted [1,3] thiazolo [4, 5-D ] pyrimidin-2 (3H) -one derivatives and their use in therapy ASTRAZENECA AB (SE) 2009-08-26 CN disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 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
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE 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 (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-20080318981-A1 Novel Compounds 480 CX3CR1, CCR2, CXCR3 CYP3A4 1064/4885CYP2D6 1223/4885SLC6A2 4534/4885
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 CYP3A4 1445/4885CYP2D6 1092/4885SLC6A2 3614/4885

“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.