SCHEMBL14907152

SCHEMBL14907152

Cc1nc2c(s1)CN(C(=O)N(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
GRM5 P41594 14/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AOC3 Q16853 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GCK P35557 1/20 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
SCHEMBL14907170 0.88 GRM5 (0.40) DPP4DPP8DPP9DPP7GRM5
SCHEMBL9382117 0.83 GRM5 (0.56) DPP4DPP8DPP9DPP7GRM5
SCHEMBL16219043 0.82 DPP4 (0.49) DPP4DPP8DPP9DPP7GRM5
SCHEMBL19722725 0.82 DPP4 (0.46) DPP4DPP8DPP9DPP7GRM5
SCHEMBL13494214 0.82 DPP4 (0.49) DPP4DPP8DPP9DPP7GRM5
SCHEMBL13063694 0.82 NPC1 (0.44) GRM5NPC1RAB9AGCK
SCHEMBL12340949 0.82 GRM5 (0.39) DPP4DPP8DPP9DPP7GRM5
SCHEMBL15889120 0.79 DPP4 (0.44) DPP4DPP8DPP9DPP7GRM5
SCHEMBL15492431 0.79 NPC1 (0.63) DPP4DPP8DPP9DPP7GRM5
SCHEMBL16286087 0.79 DPP4 (0.52) DPP4DPP8DPP9DPP7GRM5

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-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
EP-1879886-B1 Inhibitors of mitotic kinesins and their therapeutical use ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DPP4 2904/4885DPP8 2606/4885DPP9 2648/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DPP4 3443/4885DPP8 2840/4885DPP9 3014/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DPP4 3443/4885DPP8 2840/4885DPP9 3014/4885

“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.