SCHEMBL4848710

SCHEMBL4848710

O=C(c1ccc(F)cc1)c1cc2cnc(Oc3ccccc3)nc2n1-c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.45
ALDH1A1 P00352 14/20 0.45
USP2 O75604 12/20 0.45
CYP2C9 P11712 12/20 0.45
TSHR P16473 11/20 0.45
CYP3A4 P08684 11/20 0.45
CYP2C19 P33261 9/20 0.45
HSD17B10 Q99714 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 4/20 0.44
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 5/20 0.39
CHRNA7 P36544 1/20 0.38
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL4857351 0.84 CYP1A2 (0.39) CYP1A2ALDH1A1USP2CYP2C9TSHR
SCHEMBL4856363 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1USP2CYP2C9TSHR
SCHEMBL14163794 0.79 HSP90AA1 (0.33)
SCHEMBL4858892 0.78 ALDH1A1 (0.41) CYP1A2ALDH1A1USP2CYP2C9TSHR
SCHEMBL4855863 0.78 RXFP1 (0.36) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL14158877 0.78 MAPK14 (0.33) TSHRMEN1KMT2AMAPK1CHRNA7
SCHEMBL4854308 0.78 MAPK14 (0.37)
SCHEMBL4852983 0.78 PTGS2 (0.36) USP2MEN1KMT2A
SCHEMBL14158876 0.77 HSP90AA1 (0.35)
SCHEMBL14158808 0.76 CDK4 (0.37)

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 CYP1A2 2019/4885ALDH1A1 566/4885USP2 1948/4885

“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.