SCHEMBL5844397

SCHEMBL5844397

CCCCNCCc1nc(C)nc(Cl)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TLR8 Q9NR97 2/20 0.33
PDE10A Q9Y233 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL5844251 0.84 L3MBTL1 (0.37) PDK2SIGMAR1KDM4ENPSR1L3MBTL1
SCHEMBL5844223 0.70 ALDH1A1 (0.38) SIGMAR1KDM4ENPSR1L3MBTL1TSHR
SCHEMBL15440689 0.68 NOS2 (0.35) PDK2NPSR1L3MBTL1ALDH1A1HRH3
SCHEMBL12495762 0.67 PDK2 (0.42) PDK2KDM4ENPSR1L3MBTL1TSHR
SCHEMBL6416401 0.66 DHFR (0.42) L3MBTL1ALDH1A1HTR1AHTR2AHTR2B
SCHEMBL19773336 0.65 PDK2 (0.37) PDK2KDM4EALDH1A1PDE10AKMT2A
SCHEMBL12539081 0.65 ALDH1A1 (0.42) L3MBTL1TSHRALDH1A1KMT2A
SCHEMBL13531374 0.65 ALDH1A1 (0.42) L3MBTL1TSHRALDH1A1KMT2A
SCHEMBL20273783 0.64 PDK2 (0.36) PDK2PDE10A
SCHEMBL12539077 0.64 PDK2 (0.37) PDK2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
CN-1152021-C Corticotropin release factors antagonistic agent ������ҩ�����޹�˾ 2004-06-02 CN disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
CN-1246475-A Corticotropin release factors antagonistic agent PFIZER (US) 2000-03-08 CN disclosed
CN-1049659-C Corticotropin releasing factor antagonists PFIZER (US) 2000-02-23 CN disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
CN-1150428-A Corticotropin releasing factor antagonists PFIZER (US) 1997-05-21 CN disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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 (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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 PDK2 3706/4885SIGMAR1 432/4885KDM4E 4501/4885

“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.