SCHEMBL3609782

SCHEMBL3609782

Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCNC3)c(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.56
PTGS2 P35354 1/20 0.52
CHEK1 O14757 4/20 0.49
CDK2AP1 O14519 1/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 1/20 0.47
MAPK1 P28482 1/20 0.46
OPRK1 P41145 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 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
SCHEMBL3604137 1.00 ADORA1 (0.56) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3598892 1.00 ADORA1 (0.56) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3602954 0.93 ADORA1 (0.53) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3609809 0.93 ADORA1 (0.53) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3602952 0.93 ADORA1 (0.53) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3610473 0.89 PTGS2 (0.67) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL3610471 0.89 PTGS2 (0.67) ADORA1PTGS2CHEK1CDK2AP1RAB9A
SCHEMBL15506889 0.87 ADORA1 (0.68) ADORA1PTGS2RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3607518 0.86 ADORA1 (0.47) ADORA1PTGS2CHEK1CDK2AP1RAB9A
Trifluoroacetic Acid SCHEMBL3613647 0.86 ADORA1 (0.47) ADORA1PTGS2CHEK1CDK2AP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT ADORA1 407/4885PTGS2 356/4885CHEK1 1121/4885

“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.