SCHEMBL17364320

SCHEMBL17364320

CCn1cnc2c(-n3cc(-c4ccccc4)c(=O)c(-c4ccccc4)c3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 11/20 0.41
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.39
TMIGD3 P0DMS9 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PNP P00491 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17364316 0.83 ADORA2A (0.45) TSHRTMIGD3ADORA2AADORA2BADORA1
SCHEMBL17364295 0.81 CDK1 (0.40) YTHDC1CNR2ADORA2AADORA1CDK1
SCHEMBL17364299 0.77 CDK1 (0.40) YTHDC1CNR2ADORA2AADORA1CDK1
SCHEMBL17367385 0.76 PNP (0.41) ADORA1PNPSMN1; SMN2PDE4D
SCHEMBL17367367 0.76 PNP (0.41) ADORA1PNPSMN1; SMN2PDE4D
SCHEMBL17367358 0.76 PNP (0.41) ADORA1PNPSMN1; SMN2PDE4D
SCHEMBL17364287 0.72 PDPK1 (0.40) TSHRADORA2AADORA1CCNE1CDK2
SCHEMBL3379300 0.68 YTHDC1 (0.60) YTHDC1CDK1CDK2NPC1
SCHEMBL29444616 0.68 CDK1 (0.51) YTHDC1ADORA2AADORA1CDK1CCNB1
SCHEMBL183244 0.68 CDK1 (0.51) YTHDC1ADORA2AADORA1CDK1CCNB1

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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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 (1 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B YTHDC1 1125/4885CNR2 3078/4885TSHR 3393/4885

“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.