SCHEMBL16486277

SCHEMBL16486277

Cc1sc(-c2ccccn2)nc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.52
ATM Q13315 1/20 0.52
PDE10A Q9Y233 1/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 2/20 0.49
MIF P14174 1/20 0.46
GABRA1 P14867 1/20 0.46
LMNA P02545 3/20 0.46
GLA P06280 1/20 0.46
IDO1 P14902 1/20 0.44
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12203630 0.82 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1458858 0.79 KDM4E (0.55) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Pyridine SCHEMBL9823801 0.74 KDM4E (0.54) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3173950 0.74 RARA (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14777502 0.74 KDM4E (0.51) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL16990880 0.74 KDM4E (0.54) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13801127 0.74 KDM4E (0.63) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12116515 0.73 ALDH1A1 (0.58) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30606304 0.73 ALDH1A1 (0.58) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL21474653 0.72 KDM4E (0.53) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2

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
EP-3033342-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2016-06-22 EP disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 WO disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A KDM4E 2187/4885RAB9A 3307/4885NPC1 1819/4885

“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.