SCHEMBL2106415

SCHEMBL2106415

CCC[C@H](CO)Nc1nc(S[C@@H](C)c2ccc(Cl)nc2)nc2nc(N)sc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.65
CXCR2 P25025 18/20 0.65
ADORA1 P30542 1/20 0.60

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
SCHEMBL1588753 0.86 CX3CR1 (0.81) CX3CR1CXCR2ADORA1
SCHEMBL1873511 0.86 CX3CR1 (0.81) CX3CR1CXCR2ADORA1
SCHEMBL1860231 0.82 CXCR2 (0.70) CX3CR1CXCR2ADORA1
SCHEMBL3263306 0.82 CXCR2 (0.45) CX3CR1CXCR2ADORA1
SCHEMBL2110308 0.82 CXCR2 (0.45) CX3CR1CXCR2ADORA1
SCHEMBL215277 0.79 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL214469 0.79 CXCR2 (0.82) CX3CR1CXCR2ADORA1
SCHEMBL20455437 0.76 CX3CR1 (0.82) CX3CR1CXCR2ADORA1
SCHEMBL18312507 0.76 CX3CR1 (0.82) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL23528828 0.75 CX3CR1 (1.00) CX3CR1CXCR2ADORA1

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 19 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 claimed
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 claimed
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
EP-2648754-A2 METHODS OF INHIBITING METASTASIS FROM CANCER Philadelphia Health and Education Corporation D/B/A (US) 2013-10-16 EP disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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
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-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 (6 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 368/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 368/4885
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 CX3CR1 1/4885CXCR2 8/4885ADORA1 83/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 336/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 368/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 368/4885

“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.