SCHEMBL17809587

SCHEMBL17809587

CN1CCCCc2cc(-c3cnn(C)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.50
KDM1A O60341 2/20 0.49
WDR5 P61964 1/20 0.49
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
LRRK2 Q5S007 1/20 0.41
BRD4 O60885 2/20 0.41
NOTUM Q6P988 1/20 0.40
CYP11B2 P19099 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.40

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
SCHEMBL17795410 0.96 CREBBP (0.54) CREBBPKDM1AWDR5MEN1ALDH1A1
SCHEMBL17809509 0.90 WDR5 (0.56) CREBBPKDM1AWDR5LRRK2BRD4
SCHEMBL17809604 0.84 KDM1A (0.50) CREBBPKDM1AWDR5BRD4NOTUM
SCHEMBL17806327 0.84 KDM1A (0.48) CREBBPKDM1ALRRK2NOTUM
SCHEMBL19663486 0.82 KDM1A (0.59) CREBBPKDM1AALDH1A1BRD4CYP11B2
SCHEMBL17794751 0.81 WDR5 (0.48) CREBBPKDM1AWDR5MEN1ALDH1A1
SCHEMBL17809551 0.80 CREBBP (0.49) CREBBPKDM1AWDR5MEN1ALDH1A1
SCHEMBL17809618 0.80 CREBBP (0.51) CREBBPKDM1AWDR5MEN1ALDH1A1
SCHEMBL21024258 0.80 CREBBP (0.50) CREBBPKDM1AWDR5LRRK2BRD4
SCHEMBL17806201 0.80 CREBBP (0.50) CREBBPKDM1AWDR5LRRK2BRD4

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 CREBBP 6/4885KDM1A 307/4885WDR5 621/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885KDM1A 307/4885WDR5 621/4885

“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.