SCHEMBL1928012

SCHEMBL1928012

CC1CN(Cc2ccc(-c3cc(N)c(C(N)=O)s3)cc2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CHUK O15111 1/20 0.50
CYP2C19 P33261 1/20 0.50
BTK Q06187 1/20 0.49
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
GRM2 Q14416 3/20 0.46
MAP3K7 O43318 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HDAC6 Q9UBN7 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1928014 1.00 IKBKB (0.53) IKBKBCYP1A2CYP3A4CYP2C9CHUK
SCHEMBL1927567 0.85 MAP3K7 (0.64) IKBKBGRM2MAP3K7HDAC6CHEK1
SCHEMBL1927563 0.85 MAP3K7 (0.64) IKBKBGRM2MAP3K7HDAC6CHEK1
SCHEMBL1926925 0.81 IKBKB (0.56) IKBKBCYP1A2CYP3A4CYP2C9CHUK
SCHEMBL1929265 0.79 CHEK1 (0.70) IKBKBHDAC6CHEK1MEN1KMT2A
SCHEMBL1929263 0.79 CHEK1 (0.70) IKBKBHDAC6CHEK1MEN1KMT2A
SCHEMBL5101701 0.75 GRM2 (0.50) CYP2C19GRM2ALDH1A1HDAC6POLB
SCHEMBL2926992 0.74 MAP3K7 (0.49) IKBKBGRM2MAP3K7ALDH1A1HDAC6
SCHEMBL2931228 0.74 CHEK1 (0.51) IKBKBGRM2MAP3K7ALDH1A1HDAC6
SCHEMBL4091614 0.72 IKBKB (0.62) IKBKBCYP1A2CYP3A4CYP2C9CHUK

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-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885CYP1A2 12/4885CYP3A4 8/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 IKBKB 2989/4885CYP1A2 23/4885CYP3A4 12/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885CYP1A2 12/4885CYP3A4 8/4885

“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.