SCHEMBL22417606

SCHEMBL22417606

CC(C)(C)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BRD4 O60885 4/20 0.41
CREBBP Q92793 3/20 0.41
AR P10275 1/20 0.39
PNMT P11086 1/20 0.39
EPHX2 P34913 1/20 0.38
TSHR P16473 2/20 0.34
EP300 Q09472 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL26262448 1.00 GAA (0.46) GAAMAPTBRD4CREBBPAR
SCHEMBL397465 1.00 GAA (0.46) GAAMAPTBRD4CREBBPAR
SCHEMBL28253303 0.86 GAA (0.44) GAAMAPTBRD4CREBBPAR
SCHEMBL11923533 0.82 GAA (0.41) GAAMAPTBRD4CREBBPAR
SCHEMBL8931357 0.81 MTNR1A (0.42) GAAMAPTMTNR1A
SCHEMBL30681543 0.80 PNMT (0.56) GAAMAPTBRD4CREBBPAR
SCHEMBL7476539 0.77 NOTUM (0.49) GAAMAPTEPHX2TSHR
SCHEMBL14439845 0.77 GAA (0.44) GAAMAPTBRD4CREBBPAR
SCHEMBL20250907 0.76 KDM4E (0.39) GAAMAPT
SCHEMBL21100919 0.76 PNMT (0.35) GAAMAPTPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 GAA 1848/4885MAPT 32/4885BRD4 472/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF GAA 2197/4885MAPT 3938/4885BRD4 47/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 GAA 1605/4885MAPT 3373/4885BRD4 528/4885

“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.