SCHEMBL2017303

SCHEMBL2017303

CC1CCN(c2ncc3cc[nH]c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.51
OGA O60502 1/20 0.48
JAK3 P52333 2/20 0.46
ACHE P22303 4/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HSP90AB1 P08238 1/20 0.38
TRPC3 Q13507 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
PTK2B Q14289 1/20 0.37
KIT P10721 1/20 0.37
AKT2 P31751 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
SCHEMBL9277647 0.83 OGA (0.50) OGAJAK3ACHETSHRALDH1A1
SCHEMBL3589539 0.81 OGA (0.49) OGAJAK3HTR2AHTR2CTSHR
SCHEMBL30945083 0.80 ROCK2 (0.50) OGAACHEHTR2CKMT2ATSHR
SCHEMBL1360345 0.79 PIK3CA (0.58) OGAJAK3KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL6017462 0.79 ROCK2 (0.49) OGAACHEHTR2CKMT2ATSHR
SCHEMBL30945071 0.76 LMNA (0.50) OGAJAK3LMNATSHRALDH1A1
SCHEMBL855849 0.75 LCK (0.50) LCKJAK3KMT2ALMNAALDH1A1
SCHEMBL30945067 0.75 ROCK2 (0.58) OGAHTR2CHRH4
SCHEMBL9910134 0.74 HTR3A (0.69) OGAACHEKMT2ALMNATSHR
SCHEMBL30945065 0.72 LMNA (0.46) OGAJAK3LMNAALDH1A1

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-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

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 LCK 206/4885OGA 4847/4885JAK3 1/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 LCK 206/4885OGA 4847/4885JAK3 1/4885

“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.