SCHEMBL21237513

SCHEMBL21237513

CC(C)(C)c1cccc2cc(N3CCC(C#N)C3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.46
▸ AR P10275 2/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ PDE10A Q9Y233 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ HTR3A P46098 1/20 0.34
▸ CTSS P25774 4/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ SOS1 Q07889 1/20 0.33

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
SCHEMBL19662779 0.85 CREBBP (0.50) CREBBPCDK4PDE10AKDM4EALDH1A1
SCHEMBL21237241 0.84 CREBBP (0.43) CREBBPPDE10AHTR3AKCNH2SOS1
SCHEMBL21237247 0.84 CREBBP (0.43) CREBBPARCDK4PDE10AEGLN2
SCHEMBL21237243 0.84 CREBBP (0.43) CREBBPARCDK4PDE10AEGLN2
SCHEMBL21237184 0.81 CREBBP (0.46) CREBBPCDK4PDE10A
SCHEMBL21237249 0.81 HRH4 (0.49) —
SCHEMBL21237469 0.81 HRH4 (0.46) CREBBPPDE10ASOS1
SCHEMBL21237185 0.81 CREBBP (0.46) CREBBPCDK4PDE10A
SCHEMBL21237388 0.80 CREBBP (0.46) CREBBPPDE10AHTR3AKCNH2SOS1
SCHEMBL21237245 0.78 HTR3A (0.46) CREBBPARKDM4EHTR3ASOS1

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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 — — US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP CREBBP 3/4885AR 880/4885CDK4 2331/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP CREBBP 3/4885AR 880/4885CDK4 2331/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP CREBBP 3/4885AR 880/4885CDK4 2331/4885

“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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