SCHEMBL2390159

SCHEMBL2390159

NC1(C(=O)NC2(c3cc(CN4CCOCC4)ccn3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
CHUK O15111 2/20 0.41
MAPK8 P45983 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
KDR P35968 2/20 0.40
INSR P06213 1/20 0.40
CNR2 P34972 3/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CHEK1 O14757 1/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 1/20 0.39
PDGFRB P09619 1/20 0.39
CNR1 P21554 1/20 0.38
NCF1 P14598 1/20 0.38
CSF1R P07333 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3720382 0.90 ICAM1 (0.38) KDRHIF1ACHEK1PDGFRBTP53
SCHEMBL2390947 0.90 ICAM1 (0.38) KDRHIF1ACHEK1PDGFRBTP53
SCHEMBL12310643 0.79 KDR (0.43) CAMKK2KDRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL15295437 0.79 LOXL2 (0.40)
SCHEMBL15998491 0.78 KDR (0.42) CAMKK2KDRCNR2NPC1RAB9A
SCHEMBL3720378 0.77 ALDH1A1 (0.35) KDRCHEK1
SCHEMBL12259578 0.77 KDR (0.41) CHUKMAPK8CAMKK2KDRNPC1
SCHEMBL15295436 0.76 L3MBTL1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3659156 0.70 VNN1 (0.40)
SCHEMBL14366021 0.70 GCK (0.46) CHUKMAPK8CAMKK2KDRINSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 AOC3 2742/4885CHUK 45/4885MAPK8 1658/4885

“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.