SCHEMBL10096607

SCHEMBL10096607

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AURKA O14965 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 1/20 0.39
BTK Q06187 1/20 0.39
KDR P35968 3/20 0.38
FLT3 P36888 2/20 0.38
FLT1 P17948 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NR4A1 P22736 1/20 0.38
LCK P06239 2/20 0.38
NPC1 O15118 5/20 0.38

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
SCHEMBL13198739 0.89 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2879068 0.89 AURKA (0.46) KMT2AMEN1AURKAMAPTALDH1A1
SCHEMBL10097654 0.87 KDR (0.42) GAANPSR1KMT2AMEN1AURKA
SCHEMBL10096609 0.86 ABL1 (0.42) KMT2AMEN1AURKAMAPTALDH1A1
SCHEMBL10193404 0.85 CYP1A2 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10095706 0.84 HRH2 (0.48) KMT2AMEN1AURKAALDH1A1FLT3
SCHEMBL982904 0.82 MTNR1B (0.46) KMT2AMEN1ALDH1A1KDRHPGD
SCHEMBL10096608 0.82 ALDH1A1 (0.45) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10095553 0.80 TDP1 (0.53) NPSR1MAPTALDH1A1HPGDNPC1
SCHEMBL2880202 0.80 KDM4E (0.44) GAAKMT2AAURKAMAPTALDH1A1

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-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-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-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 GAA 667/4885NPSR1 3320/4885KMT2A 4464/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GAA 667/4885NPSR1 3320/4885KMT2A 4464/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GAA 68/4885NPSR1 2722/4885KMT2A 4114/4885

“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.