SCHEMBL21237219

SCHEMBL21237219

CC(C)(C)c1cccc(C(=O)Nc2cncnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.63
▸ KIT P10721 4/20 0.62
▸ LCK P06239 3/20 0.62
▸ SRC P12931 3/20 0.62
▸ MAPK14 Q16539 3/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ BCAT2 O15382 1/20 0.60
▸ NR1H4 Q96RI1 1/20 0.59
▸ BRAF P15056 2/20 0.56
▸ KDR P35968 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KCNK9 Q9NPC2 1/20 0.54
▸ KCNQ3 O43525 1/20 0.53
▸ KCNQ2 O43526 1/20 0.53
▸ KCNE1 P15382 1/20 0.53
▸ KCNQ1 P51787 1/20 0.53
▸ KCNQ5 Q9NR82 1/20 0.53

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
SCHEMBL16881794 0.86 NPC1 (0.75) HDAC8HDAC6KITMAPK14BRAF
SCHEMBL12201888 0.82 HDAC8 (0.74) HDAC8HDAC6NR1H4HDAC3NPC1
SCHEMBL19662798 0.81 NT5E (0.70) KITLCKSRCMAPK14ABL1
SCHEMBL21237370 0.79 EGFR (0.61) HDAC8HDAC6KITNR1H4BRAF
SCHEMBL20064059 0.78 KCNK3 (0.77) HDAC8HDAC6NR1H4HDAC3RAB9A
SCHEMBL8462152 0.78 HDAC6 (0.77) HDAC8HDAC6NR1H4HDAC3NPC1
SCHEMBL2565097 0.78 KMT2A (0.76) HDAC8HDAC6BRAFHDAC3NPC1
SCHEMBL19662757 0.78 BCAT2 (0.66) KITLCKSRCMAPK14ABL1
SCHEMBL2947918 0.77 LCK (1.00) KITLCKSRCMAPK14ABL1
SCHEMBL21237357 0.77 BRAF (0.61) HDAC6MAPK14BCAT2BRAFNPC1

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 HDAC8 51/4885HDAC6 22/4885KIT 2588/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885KIT 2588/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885KIT 2588/4885

“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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