SCHEMBL19130905

SCHEMBL19130905

CC(C)c1ncnc2c(=O)cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.40
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.36
JAK2 O60674 4/20 0.34
JAK1 P23458 3/20 0.34
DYRK1A Q13627 1/20 0.33
JAK3 P52333 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL19152784 0.77 CCR8 (0.41) CCR8KMT2AJAK2JAK1DYRK1A
SCHEMBL14747699 0.75 DYRK1A (0.53) FFAR2DYRK1AJAK3
SCHEMBL18237745 0.75 FFAR2 (0.38) FFAR2KMT2ACDK2ADORA2AADORA1
SCHEMBL19131034 0.75 CCR8 (0.52) CCR8KMT2ADYRK1ACCNT1CCNA2
SCHEMBL18239045 0.73 CCR8 (0.37) CCR8KMT2AJAK2JAK1DYRK1A
SCHEMBL21388537 0.73 JAK3 (0.40) FFAR2KMT2AJAK2JAK3CCNT1
SCHEMBL25636036 0.70 FFAR2 (0.37) FFAR2
SCHEMBL17128274 0.68 CCR8 (0.47) CCR8KMT2AJAK2JAK1DYRK1A
SCHEMBL18237616 0.66 GRM5 (0.38)
SCHEMBL18238031 0.66 CCR8 (0.44) CCR8KMT2AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT FFAR2 4642/4885CCR8 1958/4885KMT2A 1005/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT FFAR2 4642/4885CCR8 1958/4885KMT2A 1005/4885

“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.