SCHEMBL17837494

SCHEMBL17837494

Cc1ccnc2[nH]nc(I)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.34
DYRK1A Q13627 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL1944275 0.81 LRRK2 (0.41) LRRK2AURKADAPK3MAP4K4ABL1
SCHEMBL30406172 0.81 LRRK2 (0.41) LRRK2AURKADAPK3MAP4K4ABL1
SCHEMBL15890593 0.80 LRRK2 (0.36) LRRK2DYRK1AAURKADAPK3JAK2
SCHEMBL21620889 0.77 LRRK2 (0.34) LRRK2DYRK1AAURKADAPK3JAK2
SCHEMBL16680727 0.77 NOS2 (0.45) AURKAMAP4K4KDRGSK3BLIMK1
SCHEMBL28919098 0.77 AURKA (0.40) AURKAGSK3B
SCHEMBL1840200 0.77 ROCK2 (0.45) JAK2MAP4K4GSK3BCDK7CDK9
SCHEMBL2675683 0.73 LRRK2 (0.33) LRRK2
SCHEMBL30406195 0.73 LRRK2 (0.33) LRRK2
SCHEMBL2675367 0.73 GRM4 (0.33) LRRK2DYRK1AAURKADAPK3JAK2

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-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK LRRK2 291/4885DYRK1A 822/4885AURKA 169/4885

“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.