SCHEMBL3029413

SCHEMBL3029413

CN1CCN(c2ccc(Nc3nc(-c4cccc(CC#N)c4)c4cc[nH]c4n3)cc2F)CC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.75
PAK1 Q13153 13/20 0.70
TNIK Q9UKE5 2/20 0.56
TTK P33981 1/20 0.53
PTK2 Q05397 1/20 0.53
EGFR P00533 2/20 0.51
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL3026503 0.92 AXL (0.65) AXLPAK1TNIKTTKPTK2
SCHEMBL3026498 0.92 AXL (0.64) AXLPAK1TNIKTTKPTK2
Hydrochloric Acid SCHEMBL3023172 0.92 AXL (0.64) AXLPAK1TNIKTTKPTK2
SCHEMBL3018290 0.91 AXL (0.63) AXLPAK1TNIKTTKPTK2
SCHEMBL3026894 0.91 AXL (0.62) AXLPAK1TNIKTTKPTK2
SCHEMBL3032870 0.91 AXL (0.62) AXLPAK1TNIKTTKPTK2
SCHEMBL3028786 0.90 AXL (0.61) AXLPAK1TNIKTTKPTK2
SCHEMBL3027137 0.88 AXL (0.63) AXLPAK1TNIKTTKPTK2
SCHEMBL3029405 0.88 AXL (0.59) AXLPAK1TNIKTTKPTK2
SCHEMBL13257344 0.88 AXL (0.59) AXLPAK1TTKPTK2EGFR

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
CN-102307875-A Pyrrolopyrimidinyl axl kinase inhibitors SUPERGEN INC 2012-01-04 CN disclosed
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

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 AXL 1/4885PAK1 22/4885TNIK 308/4885

“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.