SCHEMBL6891842

SCHEMBL6891842

Cn1ccc(-c2cnn3c(N)cc(N4CCC5(C4)NC(=O)NC5=O)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.41
DDB1 Q16531 5/20 0.41
CDK8 P49336 4/20 0.40
CDK19 Q9BWU1 4/20 0.40
CCNC P24863 3/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 4/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL10234160 0.84 CCNC (0.40) CRBNDDB1CDK8CDK19CCNC
SCHEMBL7882711 0.83 CRBN (0.40) CRBNDDB1CDK8CDK19CCNC
SCHEMBL6894488 0.81 CRBN (0.44) CRBNDDB1CDK8CDK19CCNC
SCHEMBL10234481 0.81 CHEK1 (0.46) CDK8CDK19CCNC
SCHEMBL6893297 0.77 CRBN (0.39) CRBNDDB1CDK8CDK19CCNC
SCHEMBL6894450 0.76 CRBN (0.42) CRBNDDB1CDK8CDK19CCNC
SCHEMBL6894418 0.75 NPC1 (0.36) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL7874628 0.74 KDM4E (0.37) CRBNDDB1KDM4EMEN1NPC1
SCHEMBL6894908 0.73 CHEK1 (0.48) CDK8CDK19CCNCJAK2JAK1
SCHEMBL10239462 0.72 KDM4E (0.37) KDM4EMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 CRBN 1562/4885DDB1 615/4885CDK8 652/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CRBN 2219/4885DDB1 956/4885CDK8 408/4885

“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.