SCHEMBL2177359

SCHEMBL2177359

COc1ccc(-c2nnc3c4c(c(NCc5ccc(F)cc5)nn23)N(C)CCN4C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 1.00
PIM3 Q86V86 1/20 0.77
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 4/20 0.41
APAF1 O14727 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP2K4 P45985 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39

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
SCHEMBL2180198 0.88 PIM1 (1.00) PIM1PIM3TP53RXFP1
SCHEMBL12496578 0.87 PIM3 (1.00) PIM1PIM3
SCHEMBL12491794 0.87 PIM3 (0.87) PIM1PIM3
SCHEMBL12495653 0.79 PIM3 (0.73) PIM1PIM3
SCHEMBL15623962 0.77 PIM1 (0.63) PIM1PIM3KDM4EALDH1A1HSD17B10
SCHEMBL12496091 0.74 PIM1 (0.59) PIM1PIM3KDM4EALDH1A1HSD17B10
SCHEMBL12497942 0.69 PIM1 (0.71) PIM1PIM3
SCHEMBL2179124 0.68 PIM1 (1.00) PIM1PIM3
SCHEMBL12491006 0.68 PIM1 (1.00) PIM1PIM3
SCHEMBL12494539 0.67 PIM1 (0.91) PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US claimed
EP-2519526-B1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP claimed
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
EP-2519526-B1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
EP-2519526-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-07 EP disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 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-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885KDM4E 857/4885

“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.