SCHEMBL18930745

SCHEMBL18930745

N#Cc1ccc(C[C@@H](N)CO)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
SLC6A4 P31645 3/20 0.35
PCNA P12004 1/20 0.35
LIG1 P18858 1/20 0.35
EPHX1 P07099 1/20 0.33
DPP4 P27487 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
EGFR P00533 1/20 0.32
ANPEP P15144 2/20 0.32
ENPEP Q07075 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
Hydrochloric Acid SCHEMBL21144976 0.98 PRKACA (0.40) PRKACAPRKACGPRKACBSLC6A4PCNA
Hydrochloric Acid SCHEMBL21144975 0.98 PRKACA (0.40) PRKACAPRKACGPRKACBSLC6A4PCNA
SCHEMBL18930229 0.83 NOS3 (0.41) PRKACAPRKACGPRKACBSLC6A4PCNA
Hydrochloric Acid SCHEMBL21144949 0.81 NOS3 (0.40) PRKACAPRKACGPRKACBSLC6A4PCNA
Hydrochloric Acid SCHEMBL21144951 0.81 NOS3 (0.40) PRKACAPRKACGPRKACBSLC6A4PCNA
SCHEMBL8575206 0.79 MAPK1 (0.41) PRKACAPRKACGPRKACBCYP1A2CYP3A4
SCHEMBL21144759 0.76 MME (0.38) PRKACACYP3A4MAPK1EGFR
SCHEMBL21144760 0.76 MME (0.38) PRKACACYP3A4MAPK1EGFR
SCHEMBL20397577 0.75 LOXL2 (0.52) SLC6A4EPHX1DPP4
SCHEMBL14860539 0.75 LOXL2 (0.52) SLC6A4EPHX1DPP4

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L PRKACA 4056/4885PRKACG 3771/4885PRKACB 3641/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L PRKACA 4056/4885PRKACG 3771/4885PRKACB 3641/4885

“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.