SCHEMBL441934

SCHEMBL441934

CC(=O)c1cnc(N)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
GSK3B P49841 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATR Q13535 3/20 0.35
CA5A P35218 1/20 0.34
CREBBP Q92793 1/20 0.34
TSHR P16473 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL9193957 0.84 CA5A (0.37) HDAC1HDAC6MKNK1MKNK2NPC1
SCHEMBL31276895 0.82 KMT2A (0.52) HTTKMT2AHDAC1HDAC6GABRP
SCHEMBL7599288 0.82 KMT2A (0.52) HTTKMT2AHDAC1HDAC6GABRP
SCHEMBL186549 0.82 KMT2A (0.52) HTTKMT2AHDAC1HDAC6GABRP
SCHEMBL5904298 0.82 HTT (0.52) HTTKMT2AHDAC1HDAC6MKNK1
SCHEMBL10386997 0.81 HTT (0.50) HTTKMT2AHDAC1HDAC6GSK3B
SCHEMBL29826371 0.80 MAPK1 (0.50) HTTKMT2ATSHRGABRA5
SCHEMBL9195181 0.80 HTT (0.46) HTTKMT2AHDAC1HDAC6GSK3B
SCHEMBL3346590 0.80 MAPK1 (0.50) HTTKMT2ATSHRGABRA5
SCHEMBL8806697 0.79 HTT (0.48) HTTKMT2AHDAC1HDAC6GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-0299277-B1 Process for the preparation of substituted pyridyl-alkyl ketones BAYER AG (DE) 1995-10-18 EP disclosed
US-4990620-A Halogen substituted pyridylalkyl ketones BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4927938-A Halogen substituted pyridylalkyl ketones BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 US disclosed
EP-0299277-A2 Process for the preparation of substituted pyridyl-alkyl ketones BAYER AG (DE) 1989-01-18 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 HTT 4156/4885KMT2A 1222/4885HDAC1 1704/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 HTT 3196/4885KMT2A 4191/4885HDAC1 3458/4885

“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.