SCHEMBL14907151

SCHEMBL14907151

Cc1nc2c(s1)CCN(CCCN1CCOCC1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
ADORA2A P29274 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM1A O60341 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 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
SCHEMBL14907159 0.97 HRH3 (0.46) HRH3ADORA2ADRD2DRD3KEAP1
SCHEMBL21451973 0.89 HRH3 (0.49) HRH3DRD2DRD3KEAP1SMN1; SMN2
SCHEMBL12344273 0.84 HRH3 (0.47) HRH3DRD2DRD3KEAP1SMN1; SMN2
SCHEMBL12340947 0.83 HRH3 (0.46) HRH3DRD2DRD3KEAP1SMN1; SMN2
SCHEMBL12344021 0.82 HRH3 (0.45) HRH3DRD2DRD3KEAP1SMN1; SMN2
SCHEMBL12340952 0.81 HRH3 (0.44) HRH3DRD2DRD3KEAP1SMN1; SMN2
SCHEMBL24202747 0.79 ADORA2A (0.43) HRH3ADORA2ADRD2DRD3MAPT
SCHEMBL8277491 0.71 HRH3 (0.48) HRH3ADORA2ASMN1; SMN2MAPTKDM4E
SCHEMBL21452307 0.70 GRM5 (0.37) HRH3ADORA2ADRD2DRD3GAA
SCHEMBL17383827 0.69 RAD52 (0.48) HRH3DRD2DRD3

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 HRH3 2861/4885ADORA2A 4631/4885DRD2 4846/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HRH3 3384/4885ADORA2A 4584/4885DRD2 4836/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HRH3 3384/4885ADORA2A 4584/4885DRD2 4836/4885

“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.