SCHEMBL9769258

SCHEMBL9769258

CC(C)C(=O)Nc1ccc(Br)cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 11/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TP53 P04637 3/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29854856 1.00 RAB9A (0.55) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL27211127 0.88 RAB9A (0.54) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL2323680 0.87 RAB9A (0.52) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL4074315 0.83 FDPS (0.46) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL14496947 0.83 RAB9A (0.55) RAB9ANPC1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL5543100 0.81 RAB9A (0.54) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL9891790 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL356367 0.80 PTK2 (0.62) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL29883001 0.80 PTK2 (0.62) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL5256669 0.80 RAB9A (0.57) RAB9ANPC1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230027929-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-26 US disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
US-5019578-A β-adrenergic agonists MERCK & CO., INC. (US) 1991-05-28 US disclosed
EP-0318092-A2 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1989-05-31 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 (2 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 RAB9A 3331/4885NPC1 4872/4885TSHR 1756/4885
US-20230027929-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 RAB9A 1911/4885NPC1 573/4885TSHR 1000/4885

“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.