SCHEMBL403141

SCHEMBL403141

Cc1cc(CNc2ccn3ncc(C(=O)Nc4cccnc4)c3n2)n(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
IRAK4 Q9NWZ3 5/20 0.46
NAMPT P43490 5/20 0.46
JAK2 O60674 3/20 0.45
NTRK1 P04629 1/20 0.45
RET P07949 2/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
MAPT P10636 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL15428626 0.91 JAK2 (0.47) IRAK4JAK2NTRK1RETPIM1
SCHEMBL404423 0.82 HTT (0.60) HTTIRAK4NTRK1RETPIM1
SCHEMBL405674 0.81 IRAK4 (0.45) IRAK4JAK2NTRK1RETPIM1
SCHEMBL404555 0.80 HTT (0.55) HTTIRAK4JAK2NTRK1RET
SCHEMBL402942 0.79 HTT (0.61) HTTIRAK4NAMPTJAK2NTRK1
SCHEMBL405010 0.79 PIM1 (0.47) HTTIRAK4JAK2NTRK1RET
SCHEMBL10191618 0.78 NTRK1 (0.54) IRAK4JAK2NTRK1JAK1TYK2
SCHEMBL403237 0.78 RET (0.58) HTTIRAK4NTRK1RETPIM1
SCHEMBL403721 0.78 RET (0.55) HTTIRAK4NTRK1RETPIM1
SCHEMBL403563 0.78 JAK2 (0.54) IRAK4JAK2NTRK1RETPIM1

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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885IRAK4 9/4885NAMPT 3785/4885

“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.