SCHEMBL21237273

SCHEMBL21237273

Cc1cc(NC(=O)c2cccc(C(C)(C)C)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.61
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ KCNK3 O14649 2/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ HDAC3 O15379 1/20 0.54
▸ KCNK9 Q9NPC2 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ NT5E P21589 1/20 0.50
▸ SORT1 Q99523 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL19662756 0.83 NT5E (0.71) BRAFKCNK3KCNK9RAB9ANPC1
SCHEMBL3989785 0.82 JAK2 (0.60) KCNK3KCNK9RAB9ANPC1SMN1; SMN2
SCHEMBL30290852 0.81 BRAF (0.61) BRAFKCNK3KCNK9MEN1KMT2A
SCHEMBL24010908 0.81 BRAF (0.61) BRAFKCNK3KCNK9MEN1KMT2A
SCHEMBL20064059 0.81 KCNK3 (0.77) HDAC8HDAC6KCNK3NR1H4HDAC3
SCHEMBL21237381 0.79 BRAF (0.61) BRAFKCNK3KCNK9RAB9ANPC1
SCHEMBL12201888 0.79 HDAC8 (0.74) HDAC8HDAC6KCNK3NR1H4HDAC3
SCHEMBL31435257 0.78 MAPT (0.68) BRAFKCNK3KCNK9LMNARAB9A
SCHEMBL30290919 0.78 BRAF (0.57) BRAFKCNK3KCNK9MEN1KMT2A
SCHEMBL24010657 0.78 BRAF (0.57) BRAFKCNK3KCNK9MEN1KMT2A

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 BRAF 988/4885HDAC8 51/4885HDAC6 22/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP BRAF 988/4885HDAC8 51/4885HDAC6 22/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP BRAF 988/4885HDAC8 51/4885HDAC6 22/4885

“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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