SCHEMBL6286452

SCHEMBL6286452

Nc1ncc(Br)nc1OCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MPO P05164 2/20 0.51
DHFR P00374 2/20 0.50
DCPS Q96C86 1/20 0.50
MAOB P27338 3/20 0.48
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
GRM5 P41594 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
BACE1 P56817 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
SCHEMBL557629 0.82 MGMT (0.50) PIN1MPODHFRDCPSMAOB
SCHEMBL29364376 0.82 MGMT (0.50) PIN1MPODHFRDCPSMAOB
SCHEMBL23022101 0.82 MPO (0.35) PIN1KDM4EHPGDMPODHFR
SCHEMBL488752 0.78 CSF1R (0.57) KDM4EMPO
SCHEMBL29507219 0.78 CSF1R (0.57) KDM4EMPO
SCHEMBL29507214 0.77 MGMT (0.53) KDM4EHRH4
SCHEMBL23022067 0.77 NOS1 (0.44) KDM4EMPO
SCHEMBL23022096 0.77 MGMT (0.53) KDM4EHRH4
SCHEMBL28939350 0.77 MGMT (0.33) PIN1DHFR
SCHEMBL6285218 0.76 HTR2C (0.67) PIN1MPOMAOBHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A PIN1 4035/4885KDM4E 4327/4885HPGD 650/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A PIN1 4035/4885KDM4E 4327/4885HPGD 650/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A PIN1 4143/4885KDM4E 4285/4885HPGD 675/4885

“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.