SCHEMBL22301188

SCHEMBL22301188

CN(C)c1ncc(CN)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
DNM1L O00429 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
PDE2A O00408 1/20 0.32
CYP2A6 P11509 4/20 0.31
CYP2E1 P05181 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2B6 P20813 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 1/20 0.30
APAF1 O14727 1/20 0.30
G6PD P11413 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL13333198 0.81 FDPS (0.38) KMT2AMEN1ALDH1A1MAPK1DNM1L
SCHEMBL7999475 0.79 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPK1DNM1L
SCHEMBL3129621 0.78 OGA (0.45) KMT2AMEN1ALDH1A1MAPK1LOXL2
SCHEMBL12157019 0.76 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPK1DNM1L
SCHEMBL23158887 0.71
SCHEMBL14558238 0.70 APAF1 (0.43) ALDH1A1APAF1G6PDMCL1ESR2
Hydrochloric Acid SCHEMBL1169597 0.70 SLC6A3 (0.40) ALDH1A1LOXL2LOXCYP2A6CYP2E1
Hydrochloric Acid SCHEMBL246103 0.70
SCHEMBL22300947 0.69 NPC1 (0.32) KMT2AMEN1ALDH1A1MAPK1DNM1L
SCHEMBL14367258 0.69 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 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 (4 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 KMT2A 3253/4885MEN1 2347/4885ALDH1A1 2611/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KMT2A 3544/4885MEN1 4852/4885ALDH1A1 4316/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS KMT2A 3544/4885MEN1 4852/4885ALDH1A1 4316/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 KMT2A 3253/4885MEN1 2347/4885ALDH1A1 2611/4885

“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.