SCHEMBL3933207

SCHEMBL3933207

CC(C)Oc1cc(Nc2nc(Cl)ncc2Br)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.50
JAK2 O60674 6/20 0.50
IGF1R P08069 5/20 0.48
JAK3 P52333 4/20 0.48
AURKA O14965 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
RET P07949 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK2 P49760 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL218889 0.79 IGF1R (0.44) NTRK1JAK2IGF1RJAK3FGFR1
SCHEMBL4068386 0.76 MEN1 (0.49) NTRK1JAK2IGF1RFGFR1KDR
SCHEMBL3930199 0.74 JAK2 (0.49) NTRK1JAK2IGF1RJAK3AURKA
SCHEMBL589661 0.72 IGF1R (0.46) NTRK1IGF1R
SCHEMBL4033781 0.72 IGF1R (0.57) NTRK1JAK2IGF1RJAK3FGFR1
SCHEMBL29190641 0.71 IGF1R (0.51) IGF1RLRRK2ALKMEN1KMT2A
SCHEMBL219273 0.69 IGF1R (0.62) JAK2IGF1RJAK3FGFR1KDR
SCHEMBL217975 0.69 IGF1R (0.45) IGF1RFGFR1KDRMEN1KMT2A
SCHEMBL3452623 0.68 MEN1 (0.42) LRRK2MEN1KMT2A
SCHEMBL17304181 0.67 PLK4 (0.36) NTRK1JAK2IGF1RJAK3AURKA

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
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 NTRK1 4728/4885JAK2 2137/4885IGF1R 3217/4885

“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.