SCHEMBL14367669

SCHEMBL14367669

CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
POLB P06746 2/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL19531695 0.87 MEN1 (0.48) MEN1KMT2ANR1H3TP53PDE4A
SCHEMBL16939091 0.82 NR1H3 (0.38) NR1H3TP53POLBNPC1ALDH1A1
SCHEMBL25562915 0.80 TDP1 (0.41) MEN1KMT2ANR1H3ALDH1A1
SCHEMBL27421407 0.80 ALDH1A1 (0.36) MEN1KMT2ANR1H3NPC1ALDH1A1
SCHEMBL11916096 0.79 ALDH1A1 (0.36) MEN1KMT2ANR1H3TP53POLB
SCHEMBL9755257 0.79 CRHBP (0.49) MEN1KMT2ACREBBPBRD4TP53
SCHEMBL2144650 0.76 MEN1 (0.40) MEN1KMT2ACREBBPBRD4TP53
SCHEMBL1232150 0.76 PDE4A (0.42) MEN1KMT2ACREBBPBRD4TP53
SCHEMBL31251176 0.76 MEN1 (0.40) MEN1KMT2ACREBBPBRD4TP53
SCHEMBL19657541 0.76 CASP3 (0.42) MEN1KMT2ACREBBPBRD4TP53

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
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 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 (7 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B MEN1 415/4885KMT2A 3459/4885CREBBP 1418/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 MEN1 1807/4885KMT2A 264/4885CREBBP 2/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 MEN1 1966/4885KMT2A 258/4885CREBBP 7/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 MEN1 1544/4885KMT2A 259/4885CREBBP 6/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 MEN1 1807/4885KMT2A 264/4885CREBBP 2/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 MEN1 1544/4885KMT2A 259/4885CREBBP 6/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 MEN1 1544/4885KMT2A 259/4885CREBBP 6/4885

“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.