SCHEMBL14500069

SCHEMBL14500069

CC[C@H](C)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.63
AURKA O14965 2/20 0.63
INCENP Q9NQS7 2/20 0.63
TPX2 Q9ULW0 2/20 0.63
GRM4 Q14833 1/20 0.55
CIT O14578 4/20 0.50
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
JAK2 O60674 7/20 0.48
JAK1 P23458 6/20 0.48
JAK3 P52333 4/20 0.48
TYK2 P29597 2/20 0.48
NUDT1 P36639 2/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
CSF1R P07333 1/20 0.48

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
SCHEMBL14500070 1.00 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29541199 1.00 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL101331 1.00 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL15412453 0.98 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
Nitrous Acid SCHEMBL100612 0.93 AURKA (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100267 0.91 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100113 0.91 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99168 0.91 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100745 0.89 AURKB (0.64) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29541047 0.89 AURKB (0.64) AURKBAURKAINCENPTPX2GRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 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-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 AURKB 613/4885AURKA 594/4885INCENP 4326/4885

“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.