SCHEMBL11268441

SCHEMBL11268441

CCCn1c(Cl)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
TP53 P04637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX15 P16050 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL629040 0.90 TLR8 (0.67) POLBLMNASMN1; SMN2KDM4EL3MBTL1
SCHEMBL1128817 0.85 HTT (0.62) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL10923541 0.84 ATM (0.57) POLBLMNASMN1; SMN2KDM4EHPGD
SCHEMBL6594954 0.82 KDM4E (0.66) POLBLMNASMN1; SMN2KDM4EL3MBTL1
SCHEMBL11632515 0.82 LMNA (0.64) POLBLMNASMN1; SMN2KDM4EHPGD
SCHEMBL19760407 0.81 LMNA (0.59) POLBLMNASMN1; SMN2KDM4EHPGD
SCHEMBL7514957 0.80 SMN1; SMN2 (0.61) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL229041 0.80 POLB (0.67) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL3059715 0.79 MEN1 (0.64) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28154146 0.79 LMNA (0.60) LMNASMN1; SMN2MAPTKDM4ETP53

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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 523/4885LMNA 1625/4885SMN1; SMN2 3157/4885

“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.