SCHEMBL17809554

SCHEMBL17809554

CN1CCCc2cc(-c3cscn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TRIM24 O15164 1/20 0.40
SYK P43405 1/20 0.39
NOTUM Q6P988 1/20 0.39
LRRK2 Q5S007 2/20 0.38
CASP3 P42574 1/20 0.37
CASP2 P42575 1/20 0.37
KCNH2 Q12809 1/20 0.36
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL19369024 0.83 HRH3 (0.45) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17806266 0.83 NOTUM (0.42) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809770 0.77 WDR5 (0.51) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809776 0.76 WDR5 (0.53) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809574 0.76 ALDH1A1 (0.51) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809559 0.74 WDR5 (0.51) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809565 0.74 MEN1 (0.47) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL8483334 0.74 CDC25A (0.50) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809619 0.73 WDR5 (0.60) WDR5MAPTALDH1A1HPGDMEN1
SCHEMBL17809581 0.73 WDR5 (0.50) WDR5MAPTALDH1A1HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 WDR5 621/4885MAPT 3833/4885ALDH1A1 1727/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 WDR5 621/4885MAPT 3833/4885ALDH1A1 1727/4885

“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.