SCHEMBL5447272

SCHEMBL5447272

Cc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccc(C(F)(F)F)nc4)C3)nc(N)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
F2R P25116 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCHR1 Q99705 11/20 0.35
ADORA2A P29274 1/20 0.34
CYP3A5 P20815 1/20 0.33

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
SCHEMBL5467840 0.80 MCHR1 (0.55) MCHR1
SCHEMBL5459614 0.77 MCHR1 (0.42) CYP3A4KDM4EMEN1TP53CYP1A2
SCHEMBL23545538 0.72 KDM1A (0.56) KDM1AMAOAMAOBCYP3A4KDM4E
SCHEMBL30471890 0.72 KDM1A (0.56) KDM1AMAOAMAOBCYP3A4KDM4E
SCHEMBL5449944 0.72 MCHR1 (0.53) CYP3A4KDM4EMEN1TP53CYP1A2
SCHEMBL19650812 0.68 KDM1A (0.59) KDM1AMAOAMAOBCYP3A4KDM4E
SCHEMBL3946424 0.67 CYP1A2 (0.42) CYP3A4KDM4EMEN1TP53CYP1A2
SCHEMBL3938281 0.65 MAPK14 (0.43) CYP3A4KDM4EMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL6626936 0.64 ADRA2A (0.52) CYP3A4KDM4EMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL6614692 0.62 MCHR1 (0.51) CYP3A4KDM4EMEN1TP53CYP1A2

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-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 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-20070185119-A1 Therapeutic agents II HTT, ACHE, GPR119 KDM1A 3678/4885MAOA 868/4885MAOB 540/4885

“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.