SCHEMBL9907627

SCHEMBL9907627

COC(=O)c1ccc2c(F)cnc(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
MAPK1 P28482 2/20 0.44
TTR P02766 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LCK P06239 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9106546 0.85 CA12 (0.46) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9104476 0.82 HTR5A (0.51) DYRK1AMAPK1TTRKDM4EALDH1A1
SCHEMBL9907482 0.82 DYRK1A (0.47) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9907434 0.82 CSNK2A1 (0.47) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9907671 0.82 NOTUM (0.52) DYRK1AMAPK1KDM4EALDH1A1HPGD
SCHEMBL9907701 0.80 HTR5A (0.47) MAPK1KIF11MAP2K4NPC1RAB9A
SCHEMBL9907626 0.80 HTR5A (0.63) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12874614 0.80 HTR5A (0.54) MAPK1ALDH1A1HPGDLCKCYP1A2
SCHEMBL9907517 0.80 HTR5A (0.63) KDM4EALDH1A1ALOX15KIF11HTT
SCHEMBL9907703 0.80 MAP2K4 (0.54) MAPK1KDM4EALDH1A1HPGDPARP1

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E DYRK1A 3985/4885MAPK1 3555/4885TTR 3634/4885

“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.