SCHEMBL2044201

SCHEMBL2044201

Cc1nc(N2CCCC2)c2cc[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.58
HRH4 Q9H3N8 2/20 0.57
PIK3R1 P27986 1/20 0.52
PIK3CA P42336 1/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAP2K7 O14733 1/20 0.48
HTR2C P28335 1/20 0.48
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
HTR6 P50406 2/20 0.44
LCK P06239 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 1/20 0.43

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
SCHEMBL9216879 0.82 PIK3CA (0.75) JAK3HRH4PIK3R1PIK3CAHSD17B10
SCHEMBL1017284 0.81 JAK3 (0.58) JAK3HRH4PIK3R1PIK3CAHTR2C
SCHEMBL14320465 0.81 HRH4 (0.78) JAK3HRH4PIK3R1PIK3CAMAP2K7
SCHEMBL1444374 0.81 JAK3 (0.58) JAK3HRH4PIK3R1PIK3CAHTR2C
SCHEMBL18900790 0.80 JAK3 (0.54) JAK3HRH4PIK3R1PIK3CAHTR2C
SCHEMBL1018704 0.79 JAK3 (0.59) JAK3HRH4PIK3R1PIK3CAMEN1
SCHEMBL14320582 0.79 HRH4 (0.76) JAK3HRH4PIK3R1PIK3CAMAP2K7
SCHEMBL2044205 0.74 PIK3R1 (0.52) JAK3HRH4PIK3R1PIK3CAMEN1
SCHEMBL1818852 0.73 JAK3 (1.00) JAK3HTR2CLCKKITAKT2
SCHEMBL31143483 0.72 HRH4 (0.44) JAK3HRH4PIK3R1PIK3CAHTR2C

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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885HRH4 1763/4885PIK3R1 495/4885

“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.