SCHEMBL14907170

SCHEMBL14907170

Cc1nc2c(s1)CCN(C(=O)N(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
P2RX3 P56373 1/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GPR6 P46095 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AOC3 Q16853 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
KCNH2 Q12809 1/20 0.32
F12 P00748 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL14907152 0.88 DPP4 (0.44) GRM5DPP4DPP8DPP9DPP7
SCHEMBL16219073 0.82 GRM5 (0.42) GRM5P2RX3DPP4DPP8DPP9
SCHEMBL12340929 0.82 DPP4 (0.37) P2RX3DPP4DPP8DPP7GPR6
SCHEMBL12344116 0.82 GRM5 (0.43) GRM5P2RX3DPP4DPP8DPP9
SCHEMBL9382117 0.71 GRM5 (0.56) GRM5DPP4DPP8DPP9DPP7
SCHEMBL8277491 0.71 HRH3 (0.48) GRM5HRH3NPC1RAB9A
SCHEMBL16219043 0.71 DPP4 (0.49) GRM5DPP4DPP8DPP9DPP7
SCHEMBL21452307 0.71 GRM5 (0.37) GRM5DPP4DPP8DPP9DPP7
SCHEMBL13063694 0.70 NPC1 (0.44) GRM5NPC1RAB9A
SCHEMBL12340949 0.70 GRM5 (0.39) GRM5DPP4DPP8DPP9DPP7

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 5 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
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 GRM5 3121/4885P2RX3 4428/4885DPP4 2904/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 GRM5 2882/4885P2RX3 4527/4885DPP4 3443/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 GRM5 2882/4885P2RX3 4527/4885DPP4 3443/4885

“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.