SCHEMBL2879068

SCHEMBL2879068

CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCN(C)CC4)cc3n2CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
NPC1 O15118 3/20 0.45
HTT P42858 1/20 0.43
JAK3 P52333 3/20 0.43
RAB9A P51151 2/20 0.41
PGR P06401 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK1 P23458 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL10096609 0.90 ABL1 (0.42) AURKAJAK3MAPTKDM4EALDH1A1
SCHEMBL10096607 0.89 GAA (0.40) AURKANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13051737 0.86 AURKA (0.47) AURKANPC1HTTJAK3RAB9A
SCHEMBL10097335 0.83 PGR (0.45) NPC1HTTRAB9APGRMAPT
SCHEMBL2880202 0.83 KDM4E (0.44) AURKAHTTSMN1; SMN2MAPTKDM4E
SCHEMBL10097246 0.80 PFKFB2 (0.47) NPC1HTTRAB9APGRSMN1; SMN2
SCHEMBL10096608 0.80 ALDH1A1 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL10095593 0.79 PGR (0.42) PGRSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL10096731 0.79 PFKFB2 (0.46) NPC1HTTRAB9APGRMAPT
SCHEMBL10095919 0.79 PFKFB2 (0.46) PGRMAPTALDH1A1KMT2APFKFB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS AURKA 4459/4885NPC1 87/4885HTT 3147/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS AURKA 4459/4885NPC1 87/4885HTT 3147/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AURKA 4312/4885NPC1 514/4885HTT 4273/4885

“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.