SCHEMBL21282840

SCHEMBL21282840

CCCCSc1nc(Cl)c(N)c(NC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
USP2 O75604 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.34
HASPIN Q8TF76 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PPARG P37231 1/20 0.33
CCR7 P32248 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21268666 0.91 ALDH1A1 (0.40) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL21274721 0.87 CXCR2 (0.40) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL1389181 0.85 SMN1; SMN2 (0.45) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL21274372 0.84 HSP90AA1 (0.41) SMN1; SMN2LMNAPOLBHTTKDM4E
SCHEMBL21279446 0.79 TLR8 (0.44) CXCR2LMNAALDH1A1HPGDKDM4E
SCHEMBL21268641 0.78 CXCR2 (0.44) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL21268680 0.77 CXCR2 (0.43) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL21268640 0.77 LMNA (0.39) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL21268685 0.76 USP28 (0.41) CXCR2LMNAMAPTALDH1A1HPGD
SCHEMBL21274437 0.75 HTT (0.44) SMN1; SMN2LMNAMAPTALDH1A1HTT

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
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 EP disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
US-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS Université de Liège (BE) 2021-03-04 US disclosed
WO-2020212553-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2020-10-22 WO disclosed
WO-2019158655-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE DE LIEGE (BE) 2019-08-22 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-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS TYMP, TYMS, UMPS CXCR2 1790/4885SMN1; SMN2 4665/4885LMNA 4238/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS CXCR2 3127/4885SMN1; SMN2 4821/4885LMNA 3843/4885

“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.