SCHEMBL4391328

SCHEMBL4391328

Cc1cc(Br)cnc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.43
METAP1 P53582 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
PIM1 P11309 1/20 0.40
TGFBR1 P36897 1/20 0.39
METAP2 P50579 1/20 0.39
CBFB Q13951 1/20 0.39
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 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
SCHEMBL10957813 0.82 KDM4E (0.58) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL27534321 0.82 KDM4E (0.46) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL4383276 0.80 S1PR1 (0.37) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL4379837 0.79 KDM4E (0.54) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL28449512 0.79 KDM4E (0.54) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL4382200 0.79 KDM4E (0.54) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL27529862 0.79 KDM4E (0.43) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL4383313 0.79 NPC1 (0.42) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL4384165 0.77 PTGS1 (0.48) KDM4ENPC1LMNAMETAP1CCR1
SCHEMBL12973187 0.77 SMN1; SMN2 (0.45) KDM4ENPC1LMNAPIM1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 EP 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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 KDM4E 3085/4885NPC1 1938/4885LMNA 4659/4885

“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.