SCHEMBL517509

SCHEMBL517509

COc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.43
IGF1R P08069 8/20 0.41
ALK Q9UM73 7/20 0.41
INSR P06213 6/20 0.41
FYN P06241 3/20 0.41
PTK2 Q05397 3/20 0.41
BMPR1B O00238 2/20 0.41
PLK4 O00444 2/20 0.41
GAK O14976 2/20 0.41
ERN1 O75460 2/20 0.41
STK10 O94804 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
LCK P06239 2/20 0.41
FES P07332 2/20 0.41
YES1 P07947 2/20 0.41
HCK P08631 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41
EPHA2 P29317 2/20 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
SCHEMBL10205071 0.90 L3MBTL3 (0.46) IGF1RALKINSRPTK2L3MBTL3
SCHEMBL27039118 0.87 VCP (0.43) VCPIGF1RALKINSRFYN
SCHEMBL310368 0.87 ALDH1A1 (0.49) IGF1RALKFYNPTK2BKHK
SCHEMBL2209498 0.87 ALDH1A1 (0.49) IGF1RALKFYNPTK2BKHK
SCHEMBL517468 0.86 ALK (0.50) IGF1RALKINSRFYNPTK2
SCHEMBL520836 0.86 L3MBTL1 (0.57) IGF1RALKINSREGFRL3MBTL3
SCHEMBL10206202 0.86 L3MBTL3 (0.53) IGF1RALKINSREGFRL3MBTL3
SCHEMBL30340719 0.86 KHK (0.46) KHKKDM4EALDH1A1TSHR
SCHEMBL309548 0.85 L3MBTL1 (0.55) ABL1L3MBTL3L3MBTL1ALDH1A1MAPT
SCHEMBL13981638 0.85 L3MBTL1 (0.55) ABL1L3MBTL3L3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
CN-103153982-A 4-(1H-Indol-3-yl) -pyrimidines as ALK inhibitors ASTRAZENECA AB 2013-06-12 CN disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 VCP 3827/4885IGF1R 499/4885ALK 1/4885

“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.