SCHEMBL3030399

SCHEMBL3030399

N#CCc1cccc(Nc2nc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
BRD4 O60885 1/20 0.51
PTK2 Q05397 4/20 0.44
AXL P30530 1/20 0.44
JAK3 P52333 7/20 0.42
BTK Q06187 3/20 0.42
PAK4 O96013 3/20 0.41
EGFR P00533 1/20 0.41
TTK P33981 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPK8 P45983 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
IGF1R P08069 2/20 0.40

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
SCHEMBL3024528 0.88 JAK2 (0.65) JAK2BRD4PTK2AXLJAK3
SCHEMBL3011240 0.87 JAK3 (0.47) JAK2PTK2JAK3BTKPAK4
SCHEMBL3022389 0.87 JAK2 (0.53) JAK2BRD4PTK2AXLJAK3
SCHEMBL3025146 0.86 BRD4 (0.58) JAK2BRD4PTK2AXLJAK3
SCHEMBL3018200 0.85 AXL (0.61) JAK2BRD4PTK2AXLJAK3
SCHEMBL13213035 0.82 PAK4 (0.48) JAK2BRD4PTK2JAK3BTK
SCHEMBL3018826 0.77 JAK2 (0.46) JAK2BRD4PTK2AXLJAK3
SCHEMBL3027137 0.77 AXL (0.63) JAK2BRD4PTK2AXLJAK3
SCHEMBL3025177 0.76 EGFR (0.61) JAK2BRD4PTK2AXLJAK3
SCHEMBL3027514 0.75 BRD4 (0.51) JAK2BRD4PTK2AXLJAK3

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
EP-2393814-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SuperGen, Inc. (US) 2011-12-14 EP disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors TOLERO PHARMACEUTICALS, INC. 2010-08-12 US disclosed
WO-2010090764-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SUPERGEN, INC. (US) 2010-08-12 WO disclosed
WO-2010090764-A1 PYRROLOPYRIMIDINYL AXL KINASE INHIBITORS SUPERGEN, INC. (US) 2010-08-12 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-20100204221-A1 Pyrrolopyrimidinyl axl kinase inhibitors AXL, FLT3, TYRO3 JAK2 81/4885BRD4 1521/4885PTK2 59/4885

“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.