SCHEMBL4858340

SCHEMBL4858340

CON=C(c1ccc(F)cc1)c1cc2cnc(NN3CCCCC3)nc2n1-c1c(F)cccc1F

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.31
CCND3 P30281 3/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK6 Q00534 1/20 0.31
CCNT1 O60563 2/20 0.30
CDK9 P50750 2/20 0.30
HTR2C P28335 1/20 0.30
MCHR1 Q99705 1/20 0.30
MAPK8 P45983 2/20 0.30
DRD4 P21917 2/20 0.30
DRD2 P14416 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
SCHEMBL4859032 0.81 MAPK14 (0.35) MAPK8
SCHEMBL4854065 0.77 CCNT1 (0.40) CDK4CCND1CCNE1CDK2CCNT1
SCHEMBL14158894 0.74 CDK4 (0.33) CDK4CCND3CCND1CCNE1CDK2
SCHEMBL4856638 0.73 MAPK13 (0.37) CDK4CCND1CDK6
SCHEMBL4857822 0.71 MAPK14 (0.35) MAPK8
SCHEMBL4857829 0.71 MAPK14 (0.35) MAPK8
SCHEMBL14158808 0.68 CDK4 (0.37) CDK4CCND3CCND1CCNE1CDK2
SCHEMBL4854308 0.68 MAPK14 (0.37) CDK4CCND3CCND1CCNE1CDK2
SCHEMBL4856042 0.67 MAPK14 (0.37)
SCHEMBL4848068 0.67 WEE1 (0.39)

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 CDK4 665/4885CCND3 2082/4885CCND1 2210/4885

“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.