SCHEMBL1603873

SCHEMBL1603873

CCn1ccnc1CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
NCOR2 Q9Y618 3/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL14310266 0.90 HDAC6 (0.38) KDM4EALDH1A1RXFP1HDAC3HDAC4
SCHEMBL1601903 0.90 KDM4E (0.46) KDM4EALDH1A1RXFP1HDAC3HDAC4
SCHEMBL1602945 0.82 KDM4E (0.47) KDM4EALDH1A1RXFP1HDAC3HDAC4
SCHEMBL1602615 0.81 HDAC3 (0.46) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1603042 0.81 HDAC3 (0.46) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL14320072 0.80 KDM4E (0.45) KDM4EALDH1A1RXFP1HDAC3HDAC4
SCHEMBL1602723 0.80 HDAC3 (0.48) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1602018 0.79 HDAC3 (0.46) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1603167 0.79 HDAC3 (0.46) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1602962 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
CN-101511812-A Pyrazole derivatives as cytochrome P450 inhibitors PFIZER PROD INC (US) 2009-08-19 CN disclosed
EP-2046774-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS Pfizer Products Inc. (US) 2009-04-15 EP disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080021011-A1 THERAPEUTIC COMPOUNDS SLC10A1, PCSK9, CFTR KDM4E 3896/4885ALDH1A1 310/4885RXFP1 1020/4885

“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.