SCHEMBL3782947

SCHEMBL3782947

O=C(c1ccc(F)cc1)c1nc(Cl)c2c(F)cccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
ALOX5 P09917 1/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 5/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP1 P09874 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CNR2 P34972 1/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL15255137 0.84 KDM4E (0.40) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL159829 0.80 KDM4E (0.53) KDM4EMEN1KMT2AHTTALOX5
SCHEMBL160850 0.78 GRM2 (0.43) KDM4EMEN1KMT2AHTTALOX5
SCHEMBL164536 0.74 NPC1 (0.49) KDM4EMEN1KMT2ALTA4HLMNA
SCHEMBL164944 0.74 AURKA (0.41) KDM4EMEN1KMT2AHTTALOX5
SCHEMBL164973 0.74 DHODH (0.41) KDM4EMEN1KMT2AHTTALOX5
SCHEMBL3773701 0.71 AURKA (0.66)
SCHEMBL162042 0.70 AURKA (0.38) KDM4EMEN1KMT2AHTTALOX5
SCHEMBL29909242 0.70 PARP1 (0.42) NPC1PARP1RAB9A
SCHEMBL1995692 0.70 PARP1 (0.42) NPC1PARP1RAB9A

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-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US disclosed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 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 (3 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885MEN1 3143/4885KMT2A 975/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885MEN1 3143/4885KMT2A 975/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885MEN1 3143/4885KMT2A 975/4885

“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.