SCHEMBL4906476

SCHEMBL4906476

CCCCCc1cc(Cl)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SREBF2 Q12772 1/20 0.40
MAPT P10636 3/20 0.40
UTS2R Q9UKP6 1/20 0.40
ATM Q13315 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CCR1 P32246 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23982938 0.98 KCNH2 (0.47) KCNH2CNR2KDM4ELMNACYP3A4
SCHEMBL27759762 0.94 CCR1 (0.42) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL1507007 0.86 KDM4E (0.53) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL21820718 0.82 SREBF2 (0.54) KCNH2CNR2KDM4ELMNACYP3A4
SCHEMBL27644599 0.81 KCNH2 (0.44) KCNH2CNR2KDM4ELMNACYP3A4
SCHEMBL1328611 0.81 LNPEP (0.48) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL23815855 0.80 KCNH2 (0.47) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL31590556 0.80 KCNH2 (0.47) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL1030077 0.79 KDM4E (0.47) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL2553622 0.79 CYP3A4 (0.46) KCNH2KDM4ELMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-20060217398-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES PFIZER INC 2006-09-28 US disclosed
US-7087617-B2 Substituted pyrimidine derivatives PFIZER INC. (US) 2006-08-08 US disclosed
EP-1625115-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-02-15 EP disclosed
US-20050101613-A1 Psychological disorders; anxiolytic agents; central nervous system disorders; antidepressants PFIZER INC 2005-05-12 US disclosed
WO-2004099148-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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 (4 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-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C KCNH2 3681/4885CNR2 39/4885KDM4E 2266/4885
US-20050101613-A1 Psychological disorders; anxiolytic agents; central nervous system disorders; antidepressants CRH, CRHR1, CRHR2 KCNH2 3479/4885CNR2 20/4885KDM4E 3261/4885
US-20060217398-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES CRHR1, CRH, CRHR2 KCNH2 4384/4885CNR2 23/4885KDM4E 3662/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C KCNH2 4176/4885CNR2 57/4885KDM4E 2577/4885

“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.