SCHEMBL16682138

SCHEMBL16682138

Cc1nn(CCCN)c2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.50
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
KMO O15229 1/20 0.43
GLS O94925 1/20 0.41
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC22A12 Q96S37 4/20 0.37
PLK1 P53350 1/20 0.36
SLC2A1 P11166 1/20 0.36
DYRK1A Q13627 1/20 0.36
SPR P35270 1/20 0.34
ATM Q13315 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ESR1 P03372 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
SCHEMBL16682146 0.85 KMO (0.46) HASPINADORA2AADORA2BKMOGLS
SCHEMBL16682174 0.83 ADORA2A (0.65) HASPINADORA2AADORA2BKMOGLS
SCHEMBL7778203 0.83 ADORA2A (0.51) HASPINADORA2AADORA2BKMOGLS
SCHEMBL18556901 0.83 HASPIN (0.43) HASPINADORA2AADORA2BSLC22A12PLK1
SCHEMBL16675970 0.82 HASPIN (0.42) HASPINSLC22A12PLK1ATMHTR2A
SCHEMBL16682190 0.82 KMO (0.43) HASPINADORA2AADORA2BKMOGLS
SCHEMBL7778444 0.80 HASPIN (0.56) HASPINADORA2AADORA2BKMODYRK1A
SCHEMBL17232702 0.80 ADORA2A (0.62) HASPINADORA2AADORA2BKMOGLS
SCHEMBL7772306 0.78 ADORA2A (0.46) HASPINADORA2AADORA2BKMOGLS
SCHEMBL18556910 0.78 PLK1 (0.45) KMOPLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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 (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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D HASPIN 2875/4885ADORA2A 389/4885ADORA2B 367/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C HASPIN 2970/4885ADORA2A 415/4885ADORA2B 611/4885

“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.