SCHEMBL2463467

SCHEMBL2463467

CC(C)(C)Nc1nc(Cl)ncc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLP1R P43220 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
NPC1 O15118 2/20 0.33
PIN1 Q13526 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32

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
SCHEMBL2447552 0.81 STK17B (0.43) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL3644211 0.79 XDH (0.41) SMN1; SMN2PIN1ALDH1A1L3MBTL1KMT2A
SCHEMBL12985024 0.78 KMT2A (0.46) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL7177583 0.78 ALDH1A1 (0.50) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL30989056 0.75 ALDH1A1 (0.35) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21287682 0.75 ALDH1A1 (0.35) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL20172034 0.74 PIN1 (0.33) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL15584954 0.74 TDP1 (0.39) LMNASMN1; SMN2GLP1RHTTNPC1
SCHEMBL3646724 0.74 LMNA (0.39) LMNAGLP1RSTK17BSTK17APIN1
SCHEMBL15584140 0.71 STK17B (0.37) POLBHTTSTK17BSTK17ALATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2011-09-08 US disclosed
US-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2011-09-08 US disclosed
US-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2011-09-08 US disclosed
WO-2009124965-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2009-10-15 WO 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-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS PRKCZ, PRKCQ, PRKCD LMNA 2531/4885SMN1; SMN2 2301/4885CYP1A2 2679/4885

“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.