SCHEMBL577461

SCHEMBL577461

CCNC(=O)c1ccc2c(c1)C[N]C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
MAPK14 Q16539 2/20 0.42
ALDH1A1 P00352 2/20 0.41
IP6K1 Q92551 1/20 0.40
PIK3CA P42336 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
RIPK1 Q13546 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13830464 0.77 KMT2A (0.53) ALOX15TP53MAPK14ALDH1A1SMN1; SMN2
SCHEMBL19719191 0.75 L3MBTL3 (0.54) NAMPT
SCHEMBL5909057 0.74 CA12 (0.58) ALDH1A1MAPTCA12CA9KMT2A
SCHEMBL578233 0.73 ALDH1A1 (0.57) TP53ALDH1A1MAPTCA12CA9
SCHEMBL14157778 0.73 HPGDS (0.55) TP53ALDH1A1MAPTKMT2AHPGD
Hydrochloric Acid SCHEMBL6163330 0.72 ITGB3 (0.50) ROCK2
SCHEMBL6848611 0.71 MAPK14 (0.51) PDK2ALOX15MAPK14ALDH1A1KMT2A
SCHEMBL9713054 0.71 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL9746484 0.71 KMT2A (0.47) TP53MAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL13702300 0.71 TAS1R3 (0.66) TP53MAPK14PIK3CASMN1; SMN2HPGD

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-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDK2 2522/4885ALOX15 1416/4885TP53 2238/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDK2 2522/4885ALOX15 1416/4885TP53 2238/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDK2 2522/4885ALOX15 1416/4885TP53 2238/4885

“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.