SCHEMBL10097273

SCHEMBL10097273

CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(C(N)=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
PRF1 P14222 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
NSD2 O96028 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ACSS2 Q9NR19 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
PTGER4 P35408 2/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
RPS27 P42677 1/20 0.34
MAPK8 P45983 1/20 0.34
PFKFB2 O60825 1/20 0.34

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
SCHEMBL10095303 0.90 JAK2 (0.44) KMT2APRF1JAK2JAK1TYK2
SCHEMBL10097274 0.90 ALDH1A1 (0.49) KMT2APRF1JAK2JAK1TYK2
SCHEMBL2884063 0.88 KDM4E (0.41) KMT2ANSD2ALDH1A1KDM4EACSS2
SCHEMBL10095332 0.88 GRIA4 (0.40) KMT2APRF1JAK2JAK1TYK2
SCHEMBL2881904 0.86 KDM4E (0.38) KMT2APRF1JAK2JAK1TYK2
SCHEMBL2881153 0.84 GRIK2 (0.47) KMT2AALDH1A1KDM4EMAPK1TDP1
SCHEMBL2878311 0.84 AR (0.38) KMT2APRF1JAK2JAK1TYK2
SCHEMBL2881906 0.83 KDM4E (0.41) KMT2AALDH1A1KDM4EHPGDMAPK1
SCHEMBL10193331 0.83 KDM4E (0.40) KMT2AALDH1A1KDM4EHPGDMAPK1
SCHEMBL2876698 0.83 PARP10 (0.47) KMT2ANSD2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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 (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KMT2A 3974/4885PRF1 1463/4885JAK2 2860/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KMT2A 4114/4885PRF1 835/4885JAK2 918/4885

“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.