SCHEMBL4035868

SCHEMBL4035868

COc1cc(Nc2ccccn2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.73
PTK2 Q05397 2/20 0.65
ULK1 O75385 1/20 0.61
TGFBR1 P36897 4/20 0.59
BRAF P15056 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
GAK O14976 1/20 0.56
RIPK2 O43353 1/20 0.56
COQ8A Q8NI60 1/20 0.56
NLK Q9UBE8 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
EGFR P00533 1/20 0.54
AXL P30530 1/20 0.53
POLB P06746 1/20 0.52
RAD52 P43351 1/20 0.52

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
SCHEMBL12574176 0.83 IGF1R (0.54) IGF1RPTK2ULK1TGFBR1SMN1; SMN2
SCHEMBL19654202 0.81 PTK2 (0.78) IGF1RPTK2ULK1EGFRAXL
SCHEMBL29575113 0.80 PTK2 (1.00) IGF1RPTK2ULK1EGFR
SCHEMBL17547491 0.80 PTK2 (1.00) IGF1RPTK2ULK1EGFR
SCHEMBL2284106 0.80 IGF1R (0.63) IGF1RPTK2SMN1; SMN2GAKRIPK2
SCHEMBL3948364 0.78 GAK (0.60) IGF1RTGFBR1BRAFGAKRIPK2
SCHEMBL17547449 0.78 ULK1 (1.00) IGF1RPTK2ULK1EGFR
SCHEMBL29575547 0.78 ULK1 (1.00) IGF1RPTK2ULK1EGFR
SCHEMBL3911186 0.77 ABCG2 (0.56) IGF1RSMN1; SMN2MEN1KMT2A
SCHEMBL16248315 0.76 BRAF (0.54) IGF1RPTK2TGFBR1BRAFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 WO disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 IGF1R 1493/4885PTK2 857/4885ULK1 4230/4885

“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.