SCHEMBL17809538

SCHEMBL17809538

CN1CCc2c(F)cc(-c3cnn(C)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.47
▸ CHRM1 P11229 5/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ GSK3B P49841 8/20 0.38
▸ DYRK1A Q13627 8/20 0.38
▸ WNT1 P04628 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37

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
SCHEMBL17806202 0.83 ERN1 (0.43) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL17809771 0.82 BRD4 (0.39) ERN1AURKATTKAURKBINCENP
SCHEMBL17809543 0.80 LRRK2 (0.43) USP30LRRK2BRD4CREBBP
SCHEMBL17809613 0.77 ERN1 (0.47) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL19998604 0.74 ERN1 (0.56) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL17785632 0.73 ERN1 (0.47) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL17809508 0.73 KDM1A (0.49) CHRM1GSK3BDYRK1AWNT1BRD4
SCHEMBL17809627 0.72 CREBBP (0.42) ERN1USP30GSK3BDYRK1AWNT1
SCHEMBL17809502 0.72 CREBBP (0.44) USP30GSK3BDYRK1AWNT1BRD4
SCHEMBL17809602 0.72 BRD4 (0.41) USP30AURKAAURKBINCENPLRRK2

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 ERN1 861/4885CHRM1 1855/4885USP30 2156/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ERN1 861/4885CHRM1 1855/4885USP30 2156/4885

“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.

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