SCHEMBL5149065

SCHEMBL5149065

CC(C)n1nc(C(Cl)C(=O)c2ccc(F)cc2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX3 P56373 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC2 Q92769 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL5150644 0.86 POLB (0.40) NPC1RAB9ALMNAMAPTKCNH2
SCHEMBL6134172 0.79 SLC6A2 (0.44) NPC1LMNAMAPTSLC6A2SLC6A3
SCHEMBL5152518 0.77 LMNA (0.34) NPC1RAB9ALMNAMAPTSLC6A2
SCHEMBL27679555 0.74 ADRB2 (0.34) ADORA2AADORA1LMNAHDAC6P2RX3
SCHEMBL6538330 0.74 POLB (0.39) ADORA2AADORA1LMNAMAPTSLC6A2
SCHEMBL6133315 0.72 RAB9A (0.46) NPC1RAB9AHDAC6POLBSMN1; SMN2
SCHEMBL5388545 0.70 LMNA (0.39) LMNAMAPTCES2CES1KCNH2
SCHEMBL6133369 0.70 LMNA (0.39) LMNAMAPTCES2CES1KCNH2
SCHEMBL5151026 0.68 CES2 (0.50) NPC1RAB9AMAPTSLC6A2SLC6A3
SCHEMBL6134009 0.68 CES2 (0.35) ADORA2AADORA1LMNAMAPTHDAC6

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 US disclosed
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 ADORA2A 1/4885ADORA1 3/4885NPC1 1692/4885
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ADORA2A 635/4885ADORA1 243/4885NPC1 2391/4885

“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.