SCHEMBL17653248

SCHEMBL17653248

COc1nc(CCC(C)C)nc2ccc(-c3cn[nH]c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.47
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ROCK2 O75116 8/20 0.43
ROCK1 Q13464 4/20 0.43
GRK2 P25098 4/20 0.41
P2RX3 P56373 1/20 0.40
GRK5 P34947 2/20 0.40
AURKA O14965 1/20 0.40
PRKCB P05771 1/20 0.40
AKT1 P31749 1/20 0.40
GRK6 P43250 1/20 0.40
CAMK2B Q13554 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
GRK7 Q8WTQ7 1/20 0.40
GRK1 Q15835 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ACVR1 Q04771 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL17653207 0.82 AAK1 (0.69) AAK1GSK3B
SCHEMBL17653102 0.78 AAK1 (0.65) AAK1
SCHEMBL17653336 0.77 AAK1 (0.43) AAK1
SCHEMBL17653417 0.75 ROCK2 (0.60) ROCK2ROCK1ACVR1
SCHEMBL17653224 0.74 AAK1 (0.40) AAK1
SCHEMBL17653148 0.74 AAK1 (0.40) AAK1
SCHEMBL14466665 0.69 AKT2 (0.59) ROCK2PRKCBAKT1
SCHEMBL3385550 0.68 ROCK1 (0.55) ROCK2ROCK1GRK2GRK5AURKA
SCHEMBL17653338 0.68 AAK1 (0.66) AAK1
SCHEMBL3336157 0.67 ROCK2 (0.49) AAK1PIM1PIM3PIM2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885PIM1 1074/4885PIM3 778/4885

“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.