SCHEMBL14907231

SCHEMBL14907231

Cc1nc2ccc(NC(=O)N(C)C)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
RAB9A P51151 13/20 0.73
NPC1 O15118 11/20 0.73
SMN1; SMN2 Q16637 11/20 0.73
LDHA P00338 2/20 0.72
HTT P42858 1/20 0.64
KDM4E B2RXH2 3/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.58
GLA P06280 1/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL4664159 0.85 LDHA (0.80) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL3923955 0.84 LDHA (1.00) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL15195866 0.82 LDHA (0.76) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL12340976 0.82 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL12344034 0.82 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL23932785 0.79 LDHA (0.74) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL4664151 0.78 LDHA (0.68) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL14079746 0.78 LDHA (0.68) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL30387733 0.78 NPC1 (1.00) MAPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL22894148 0.78 LDHA (0.73) MAPTRAB9ANPC1SMN1; SMN2LDHA

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 MAPT 122/4885RAB9A 1590/4885NPC1 512/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 MAPT 166/4885RAB9A 2401/4885NPC1 952/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 MAPT 166/4885RAB9A 2401/4885NPC1 952/4885

“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.