SCHEMBL4289855

SCHEMBL4289855

CCCNC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
KDR P35968 2/20 0.37
AURKB Q96GD4 2/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
JAK1 P23458 1/20 0.35
BRD4 O60885 3/20 0.34
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32

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
SCHEMBL3577207 0.90 KDR (0.46) GRM4KDRAURKBHSD17B10KDM4E
SCHEMBL3566625 0.88 GRM4 (0.43) GRM4KDRAURKBHSD17B10KDM4E
SCHEMBL3581703 0.85 GRM4 (0.43) GRM4KDRAURKBSTK17ASYK
SCHEMBL4289850 0.84 KDR (0.38) KDRAURKBKDM4EHPGDJAK1
SCHEMBL2061834 0.75 KDR (0.49) GRM4KDRAURKBKMT2ASTK17B
SCHEMBL2061836 0.75 KDR (0.49) GRM4KDRAURKBKMT2ASTK17B
SCHEMBL2061833 0.75 KDR (0.49) GRM4KDRAURKBKMT2ASTK17B
SCHEMBL3577203 0.74 KDR (0.48) KDRAURKBHPGDBRD4KMT2A
SCHEMBL3574419 0.74 AURKB (0.39) GRM4KDRAURKBJAK1KMT2A
SCHEMBL18739589 0.73 IRAK1 (0.41) JAK1KMT2A

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 2 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-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 GRM4 3393/4885KDR 1793/4885AURKB 1454/4885

“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.