SCHEMBL4854065

SCHEMBL4854065

CN1CCN(Nc2ncc3cc(C(=O)c4ccc(F)cc4)n(-c4c(F)cccc4F)c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CYP2D6 P10635 2/20 0.39
EGFR P00533 4/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK14 Q16539 1/20 0.36
CDK4 P11802 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
SCHEMBL4848068 0.85 WEE1 (0.39) EGFRABL1PDGFRBKITSRC
SCHEMBL14158808 0.82 CDK4 (0.37) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL4854308 0.82 MAPK14 (0.37) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL4848607 0.78 MAPK14 (0.39) MAPK14MAPK8
SCHEMBL4848602 0.78 MAPK14 (0.39) MAPK14MAPK8
SCHEMBL4848869 0.78 MAPK14 (0.51) MAPK14MAPK8
SCHEMBL4858340 0.77 CDK4 (0.31) CCNT1CCNE1CDK2CDK9CDK4
SCHEMBL4855863 0.77 RXFP1 (0.36) NPC1LMNATP53RAB9AMAPK14
SCHEMBL4858892 0.77 ALDH1A1 (0.41) CYP2D6LMNACYP2C9CYP2C19MAPK7
SCHEMBL4852983 0.76 PTGS2 (0.36) CDK2NPC1LMNATP53RAB9A

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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US claimed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 CCNT1 1498/4885CCNE1 2495/4885CDK2 241/4885

“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.