SCHEMBL1977526

SCHEMBL1977526

C=Cc1ccc2cccc(Br)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
MEN1 O00255 11/20 0.46
KMT2A Q03164 11/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 4/20 0.46
HSP90AA1 P07900 3/20 0.46
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
CCR1 P32246 1/20 0.38
AR P10275 1/20 0.37
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL339548 0.81 CCR1 (0.63) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL29250226 0.79 CCR1 (0.56) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL30947773 0.79 CCR1 (0.56) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL7443034 0.78 MEN1 (0.51) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL5242515 0.77 KDM4E (0.64) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL30457803 0.76 KDM4E (0.62) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL29040603 0.76 KDM4E (0.62) MEN1KMT2ANPC1RAB9AHSP90AA1
Water SCHEMBL27725214 0.76 PFKFB3 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL29040594 0.76 KDM4E (0.62) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL14551225 0.74 MEN1 (0.48) BACE1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895550-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
US-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8557809-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-10-15 US disclosed
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
WO-2010022081-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 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 (2 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-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 BACE1 4088/4885MEN1 2783/4885KMT2A 922/4885
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM3, PIM2 BACE1 3846/4885MEN1 2196/4885KMT2A 1036/4885

“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.