SCHEMBL4858892

SCHEMBL4858892

CN(C)c1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.41
CYP1A2 P05177 15/20 0.41
CASP1 P29466 15/20 0.41
CASP7 P55210 15/20 0.41
HSD17B10 Q99714 14/20 0.41
USP2 O75604 12/20 0.41
HIF1A Q16665 10/20 0.41
TSHR P16473 7/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CYP2D6 P10635 5/20 0.41
GLA P06280 3/20 0.40
CYP2C9 P11712 8/20 0.40
CYP3A4 P08684 8/20 0.40
HPGD P15428 4/20 0.40
CYP2C19 P33261 3/20 0.40
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPK7 Q13164 1/20 0.38
LMNA P02545 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
SCHEMBL14158808 0.85 CDK4 (0.37)
SCHEMBL4855863 0.83 RXFP1 (0.36) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL4852983 0.82 PTGS2 (0.36) USP2MEN1KMT2ALMNA
SCHEMBL14158877 0.81 MAPK14 (0.33) TSHRMEN1KMT2AMAPK1
SCHEMBL4854308 0.80 MAPK14 (0.37)
SCHEMBL14163794 0.79 HSP90AA1 (0.33)
SCHEMBL14158876 0.79 HSP90AA1 (0.35) LMNA
SCHEMBL4848710 0.78 CYP1A2 (0.45) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL4848607 0.77 MAPK14 (0.39)
SCHEMBL4848602 0.77 MAPK14 (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 2 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 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 ALDH1A1 566/4885CYP1A2 2019/4885CASP1 447/4885

“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.