SCHEMBL20725909

SCHEMBL20725909

Ic1cnc(-n2ccnc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
CYP3A4 P08684 9/20 0.40
CYP1A2 P05177 7/20 0.40
CYP2D6 P10635 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
PIM1 P11309 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 6/20 0.39
ALOX15 P16050 4/20 0.39
TSHR P16473 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL2629369 0.77 CYP3A4 (0.42) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL18708523 0.77 LMNA (0.44) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL2628921 0.77 CYP11B1 (0.40) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL21863403 0.76 CYP3A4 (0.46) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL136511 0.76 LOXL2 (0.42) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL12186843 0.75 POLB (0.32)
SCHEMBL19779311 0.74 CYP3A4 (0.38) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL12470705 0.74 LOXL2 (0.47) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL13882361 0.73 CYP3A4 (0.40) LOXL2CYP3A4CYP1A2CYP2D6TDP1
SCHEMBL179322 0.73 CYP3A4 (0.40) LOXL2CYP3A4CYP1A2CYP2D6TDP1

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
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-12-09 US disclosed
US-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-12-09 US disclosed
EP-3814360-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 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-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 LOXL2 3706/4885CYP3A4 2628/4885CYP1A2 1769/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 LOXL2 3706/4885CYP3A4 2628/4885CYP1A2 1769/4885

“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.