SCHEMBL22845323

SCHEMBL22845323

CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Nc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.34
PTK2 Q05397 2/20 0.33
SCN9A Q15858 3/20 0.32
LRRK2 Q5S007 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
P2RX7 Q99572 2/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDR P35968 1/20 0.31
DYRK1A Q13627 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL22845519 0.94 MTHFD2 (0.35) MTHFD2PTK2SCN9ABRD4CREBBP
SCHEMBL22845506 0.93 S1PR2 (0.34) PTK2LRRK2BRD4CREBBPALDH1A1
SCHEMBL22845412 0.91 MAPT (0.41) ALDH1A1POLBKDRHDAC6
SCHEMBL22845388 0.90 PREP (0.35) MTHFD2BRD4MAPK14HDAC1HDAC10
SCHEMBL22845340 0.89 PRLHR (0.35) MTHFD2ALDH1A1
SCHEMBL22845264 0.89 PRLHR (0.35) MTHFD2ALDH1A1
SCHEMBL24483838 0.88 HDAC1 (0.35) MTHFD2ALDH1A1PARP1PARP2P2RX7
SCHEMBL24173491 0.87 ITGB2 (0.33) MTHFD2ALDH1A1PARP1PARP2P2RX7
SCHEMBL22845373 0.86 TP53 (0.35) MTHFD2PTK2ALDH1A1KDM4EPOLB
SCHEMBL22845206 0.84 POLB (0.41) ALDH1A1POLBDYRK1AHDAC6

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-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MTHFD2 2383/4885PTK2 4823/4885SCN9A 765/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL MTHFD2 2383/4885PTK2 4823/4885SCN9A 765/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MTHFD2 2383/4885PTK2 4823/4885SCN9A 765/4885

“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.