SCHEMBL4289850

SCHEMBL4289850

Cc1cnc(Cl)nc1N[C@@H]1CCC[C@@H]1C(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
AURKB Q96GD4 3/20 0.38
BRD4 O60885 5/20 0.36
KMT2A Q03164 1/20 0.34
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AXL P30530 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 1/20 0.31
MAPK3 P27361 1/20 0.31
INSR P06213 2/20 0.31
ALK Q9UM73 2/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL3577203 0.89 KDR (0.48) KDRAURKBBRD4KMT2AAXL
SCHEMBL3575430 0.87 KMT2A (0.50) KDRAURKBBRD4KMT2AAXL
SCHEMBL3566624 0.87 AURKB (0.38) KDRAURKBBRD4KMT2AAXL
SCHEMBL3581697 0.84 ULK1 (0.41) KDRAURKBKMT2AMAPK3
SCHEMBL4289855 0.84 GRM4 (0.44) KDRAURKBBRD4KMT2AJAK1
SCHEMBL578939 0.78 AURKA (0.50) KDRAURKBBRD4SYK
SCHEMBL4280244 0.78 AURKA (0.50) KDRAURKBBRD4SYK
SCHEMBL579070 0.77 KMT2A (0.51) KMT2AAXLSYK
SCHEMBL2061833 0.77 KDR (0.49) KDRAURKBKMT2ASYKMAPK3
SCHEMBL2061836 0.77 KDR (0.49) KDRAURKBKMT2ASYKMAPK3

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-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 KDR 1793/4885AURKB 1454/4885BRD4 1638/4885

“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.