SCHEMBL14907205

SCHEMBL14907205

Cc1nc(=O)c2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
NPSR1 Q6W5P4 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
MIF P14174 1/20 0.51
GABRA1 P14867 1/20 0.51
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
GPR3 P46089 1/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL398871 0.76 MIF (0.51) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL10720045 0.76 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL13482509 0.76 MIF (0.47) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL12341036 0.76 MIF (0.47) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL12343965 0.76 NPC1 (0.55) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2949806 0.76 MIF (0.58) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL13186559 0.73 MIF (0.61) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL6120718 0.73 MIF (0.49) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2962291 0.73 MIF (0.52) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2962338 0.73 MIF (0.64) ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2

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 ALDH1A1 2827/4885NPC1 512/4885RAB9A 1590/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 ALDH1A1 2392/4885NPC1 952/4885RAB9A 2401/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 ALDH1A1 2392/4885NPC1 952/4885RAB9A 2401/4885

“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.