SCHEMBL19639675

SCHEMBL19639675

CN(C(=O)O)C1CCN(c2cc(-n3cccn3)ncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 1/20 0.54
▸ CECR2 Q9BXF3 1/20 0.54
▸ BRD9 Q9H8M2 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ KDM6B O15054 3/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL19658782 0.91 TAF1 (0.54) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL19652231 0.88 TAF1 (0.54) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL19652270 0.85 TAF1 (0.50) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL17748984 0.78 OPRD1 (0.39) TAF1CECR2BRD9HTTHRH3
SCHEMBL17749035 0.76 SMN1; SMN2 (0.53) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL20544126 0.76 CYP2C19 (0.52) TAF1CECR2BRD9HRH3OPRD1
SCHEMBL17753933 0.76 SMN1; SMN2 (0.61) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL16208910 0.75 HRH3 (0.42) TAF1CECR2BRD9KDM6BHRH3
Hydrochloric Acid SCHEMBL19639681 0.75 SMN1; SMN2 (0.60) TAF1CECR2BRD9SMN1; SMN2HTT
SCHEMBL28380480 0.75 SMN1; SMN2 (0.71) SMN1; SMN2HTTABCB1ABCC1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 TAF1 439/4885CECR2 184/4885BRD9 16/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TAF1 439/4885CECR2 184/4885BRD9 16/4885

“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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