SCHEMBL17748985

SCHEMBL17748985

CNC1CCCc2cnccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23905992 0.90 PDPK1 (0.58) CHRNB2CHRNA4PDPK1SIGMAR1
SCHEMBL14197875 0.83 CHRNB2 (0.43) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL5051427 0.80 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL5051431 0.80 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL21757628 0.80 ALDH1A1 (0.43) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL12256567 0.77 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL8417453 0.77 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL12891523 0.77 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL61380 0.75 PDPK1 (0.79) PDPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL61094 0.75 PDPK1 (0.79) PDPK1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 — — CN disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
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
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO 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 CHRNB2 2048/4885CHRNA4 1929/4885PDPK1 2732/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CHRNB2 2048/4885CHRNA4 1929/4885PDPK1 2732/4885

“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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