SCHEMBL9905774

SCHEMBL9905774

CC(C)CC(CO)Nc1nc(SC(C)c2ccccc2Cl)nc2nc(N)sc12

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 20/20 0.80
CXCR2 P25025 17/20 0.80
ADORA1 P30542 1/20 0.77

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
SCHEMBL31199209 1.00 CX3CR1 (0.80) CX3CR1CXCR2ADORA1
SCHEMBL1588357 1.00 CX3CR1 (0.80) CX3CR1CXCR2ADORA1
SCHEMBL9106210 0.89 CX3CR1 (0.80) CX3CR1CXCR2ADORA1
SCHEMBL18312509 0.89 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL31199186 0.89 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL20455391 0.89 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL215431 0.89 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL2109055 0.89 CX3CR1 (0.69) CX3CR1CXCR2ADORA1
SCHEMBL2110298 0.89 CX3CR1 (0.69) CX3CR1CXCR2ADORA1
SCHEMBL2112903 0.89 CX3CR1 (0.69) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060380-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 KANCERA AB (SE) 2024-08-13 US disclosed
EP-3818065-B1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2023-03-15 EP disclosed
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 KANCERA AB (SE) 2022-05-24 US disclosed
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-11-04 US disclosed
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-09-23 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-12060380-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 CX3CR1, CXCR3, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 49/4885
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 CX3CR1, CCR5, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 54/4885
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CCR5, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 54/4885
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CXCR3, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 49/4885

“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.