SCHEMBL25623946

SCHEMBL25623946

CC(C)(C)c1cc(Br)cnc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
ATP2A3 Q93084 1/20 0.31

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
SCHEMBL21718950 0.80 S1PR1 (0.38) HTTKMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL21719002 0.80 KMT2A (0.46) HTTKMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL16394692 0.80 HTT (0.41) HTTKMT2APTGDR2SMN1; SMN2HSD17B10
SCHEMBL15612623 0.77 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1ALOX15
SCHEMBL21718931 0.77 HTT (0.34) HTTKMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL21718921 0.77 PLAU (0.42) HTTKMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL31143948 0.77 CTSD (0.38) HTTKMT2APTGDR2SMN1; SMN2HSD17B10
SCHEMBL16302764 0.76 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL13253377 0.76 HSP90AA1 (0.36) SMN1; SMN2KDM4EALDH1A1CYP1A2MAPT
SCHEMBL22949453 0.74 L3MBTL1 (0.33) HTTKMT2AHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 HTT 3512/4885KMT2A 1670/4885PTGDR2 785/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 HTT 3512/4885KMT2A 1670/4885PTGDR2 785/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH HTT 3578/4885KMT2A 1690/4885PTGDR2 756/4885

“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.