SCHEMBL5775686

SCHEMBL5775686

O=Cc1ncnc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.47
LIMK1 P53667 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
ERN1 O75460 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4079977 0.83 LIMK1 (0.49) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4982981 0.82 LIMK1 (0.48) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL1549990 0.81 KMT2A (0.51) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL4982960 0.80 LIMK1 (0.61) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL14111444 0.80 LIMK1 (0.49) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL1898923 0.80 ADORA1 (0.49) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL5775681 0.80 FAAH (0.51) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL12386805 0.79 P2RX7 (0.50) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL5772203 0.77 LIMK1 (0.46) SLC6A5LIMK1ALDH1A1KMT2AKDM4E
SCHEMBL4985015 0.77 ALDH1A1 (0.53) SLC6A5LIMK1ALDH1A1KMT2AKDM4E

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 SLC6A5 3148/4885LIMK1 4646/4885ALDH1A1 1113/4885

“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.