SCHEMBL4014076

SCHEMBL4014076

Cc1cc(Nc2cc(OC(C)C)[nH]n2)nc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.38
RET P07949 2/20 0.38
PLK4 O00444 1/20 0.35
PAK4 O96013 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 1/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 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
SCHEMBL4007014 0.88 IGF1R (0.38) IGF1RRETPLK4PAK4PIK3C3
SCHEMBL27674569 0.80 ITK (0.40) IGF1RPAK4PIK3C3
SCHEMBL343410 0.78 PAK4 (0.54) IGF1RRETPLK4PAK4PIK3C3
SCHEMBL4065934 0.77 PLK4 (0.40) IGF1RRETPLK4PAK4JAK2
SCHEMBL4308621 0.75 JAK2 (0.35) IGF1RRETPLK4PAK4JAK2
SCHEMBL22328001 0.74 NPC1 (0.40) IGF1RPIK3C3NPC1JAK2JAK3
SCHEMBL220024 0.74 JAK2 (0.47) IGF1RRETPLK4PAK4JAK2
SCHEMBL4016135 0.74 IGF1R (0.64) IGF1R
SCHEMBL4913165 0.73 PIK3C3 (0.45) IGF1RPLK4PAK4PIK3C3JAK3
SCHEMBL3849950 0.73 GRK6 (0.42) IGF1RRETPLK4PAK4PIK3C3

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 IGF1R 3217/4885RET 3964/4885PLK4 2169/4885

“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.