SCHEMBL4555166

SCHEMBL4555166

CC(C)(O)c1cn(-c2ccc(Br)cn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 3/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKACA P17612 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
SCHEMBL13430089 0.76 BRD4 (0.39) LRRK2P2RX7KDM4EMAPTPPARG
SCHEMBL29972701 0.76 BRD4 (0.39) LRRK2P2RX7KDM4EMAPTPPARG
SCHEMBL1557585 0.73 NOTUM (0.49) ROCK1CLK4P2RX7KDM4EMAPT
SCHEMBL15578550 0.72 KDM4E (0.53) P2RX7CA9KDM4EALDH1A1AKR1C3
SCHEMBL15001191 0.71 PDE10A (0.43) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL15001189 0.71 PDE10A (0.43) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL152558 0.71 PDE10A (0.43) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL20639984 0.71 P2RX7 (0.47) P2RX7KDM4EMAPTALDH1A1NPC1
SCHEMBL25160705 0.70 P2RX7 (0.33) P2RX7ALDH1A1AKR1C3GRIN2DGRIN3B
SCHEMBL15578538 0.70 CA12 (0.48) CYP1A2P2RX7CA12CA9IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT CYP1A2 243/4885CYP2C19 55/4885AR 4227/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 CYP1A2 349/4885CYP2C19 47/4885AR 4530/4885

“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.