SCHEMBL3528770

SCHEMBL3528770

COC(=O)c1nccn2cc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
F2RL3 Q96RI0 1/20 0.42
KMO O15229 2/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
FEN1 P39748 2/20 0.40
FFAR1 O14842 2/20 0.39
SYK P43405 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH1A3 P47895 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5AP P20292 1/20 0.37
TMIGD3 P0DMS9 2/20 0.37

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
SCHEMBL13368329 0.86 KMO (0.51) ALPLF2RL3KMOPDE3BPDE3A
SCHEMBL3520741 0.84 ALDH1A1 (0.49) SYKALDH1A1ALDH1A2ALDH1A3KDM4E
SCHEMBL3242198 0.78 MAPK9 (0.42) F2RL3KMOPDE3BPDE3AFEN1
SCHEMBL3523202 0.76 KMO (0.40) F2RL3KMOPDE3BPDE3AFEN1
SCHEMBL3724533 0.75 MAP4K4 (0.46) F2RL3KMOPDE3BPDE3AFEN1
SCHEMBL1420361 0.73 EPHB4 (0.51) F2RL3KMOSYK
SCHEMBL24985716 0.70 ALPL (0.54) ALPLF2RL3KMOALDH1A1KDM4E
SCHEMBL3525962 0.70 PRKD3 (0.48) F2RL3KMOPDE3BPDE3A
SCHEMBL29141527 0.70 KDM4E (0.58) ALPLKMOKDM4ESMN1; SMN2NPC1
SCHEMBL1939029 0.70 KMO (0.70) ALPLF2RL3KMOSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 ALPL 3381/4885F2RL3 3361/4885KMO 1525/4885

“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.