SCHEMBL2019864

SCHEMBL2019864

CCOC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]ccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 4/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
MMP13 P45452 1/20 0.48
CASP7 P55210 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
SCHEMBL2019866 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL2014412 0.86 PBK (0.47) ATRATRIP
SCHEMBL3955700 0.84 JAK3 (0.61) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL1018947 0.82 NPSR1 (0.50) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL1020712 0.78 JAK3 (0.49) MAPT
SCHEMBL7843256 0.78 JAK3 (0.53) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL28379407 0.78 JAK2 (0.63) MAPK1
SCHEMBL12184895 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL2021648 0.77 PAK4 (0.53) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2021652 0.77 PAK4 (0.53) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9

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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN 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 (2 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 2625/4885KDM4E 1105/4885MAPK1 258/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 2625/4885KDM4E 1105/4885MAPK1 258/4885

“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.