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Sugi Predict / Compounds / SCHEMBL17854803

SCHEMBL17854803

SCHEMBL17854803

CC[C@H](c1ccccn1)n1c(=O)n(C)c2cnc3cc(-c4c(C)noc4C)ccc3c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.61
▸ BRD2 P25440 2/20 0.43
▸ BRD3 Q15059 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CHRNA1 P02708 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CCL2 P13500 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AVPR1A P37288 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ BRDT Q58F21 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL17854807 0.90 BRD4 (0.72) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL17854808 0.77 USP1 (0.41) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098652 0.77 BRD4 (0.51) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL19308921 0.75 BRD4 (0.72) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15985143 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20148883 0.73 BRD4 (0.45) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16085634 0.69 BRD4 (0.49) BRD4BRD2CREBBP
SCHEMBL17854804 0.69 BRD4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15980708 0.69 BRD4 (0.69) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20385393 0.69 BRD4 (0.52) BRD4BRD2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085465-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-03-29 — — US disclosed
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-11 — — US disclosed
US-9821068-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-21 — — US disclosed
US-9770512-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-26 — — US disclosed
US-9750816-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-05 — — US disclosed
US-9694084-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-04 — — US disclosed
US-20160243247-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. 2016-08-25 — — US disclosed
US-20160235730-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. 2016-08-18 — — US disclosed
US-20160235731-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. 2016-08-18 — — US disclosed
US-20160176916-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 — — 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 (6 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-20160243247-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885
US-20160235731-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885
US-20160235730-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885
US-20180085465-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885
US-20160176916-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP BRD4 687/4885BRD2 529/4885BRD3 705/4885

“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.