SCHEMBL21045864

SCHEMBL21045864

c1cncc(-c2nc3cc4c(cc3[nH]2)C2CNCC4C2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ STAT1 P42224 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CHRNB2 P17787 2/20 0.53
▸ CHRNA4 P43681 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP11B1 P15538 1/20 0.53
▸ LDHA P00338 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ DGAT1 O75907 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GUSB P08236 1/20 0.45
▸ CHRNB4 P30926 2/20 0.44

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
SCHEMBL30930846 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL21074730 0.77 CHRNB4 (0.52) HPGDCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21074662 0.76 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24075261 0.73 RAB9A (0.73) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL21074617 0.72 CHRNB2 (0.54) KDM4ERAB9ANPC1CHRNB2CHRNA4
SCHEMBL9834209 0.71 MAPT (0.56) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL3424060 0.70 MAPT (0.70) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL8054731 0.70 MAPT (0.67) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL3424059 0.70 MAPT (0.67) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL3333868 0.70 KDM4E (0.67) KDM4EALDH1A1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3706743-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE Howard Hughes Medical Institute (US) 2020-09-16 — — EP claimed
US-12247064-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2025-03-11 — — US disclosed
US-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2021-07-08 — — US disclosed
US-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2021-07-08 — — US disclosed
US-10961296-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-03-30 — — US disclosed
US-10961296-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-03-30 — — US disclosed
EP-3706743-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE Howard Hughes Medical Institute (US) 2020-09-16 — — EP disclosed
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — US disclosed
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — 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-12247064-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 KDM4E 4061/4885ALDH1A1 3969/4885HPGD 3928/4885
US-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 KDM4E 4061/4885ALDH1A1 3969/4885HPGD 3928/4885
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 KDM4E 4061/4885ALDH1A1 3969/4885HPGD 3928/4885
US-10961296-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 KDM4E 4061/4885ALDH1A1 3969/4885HPGD 3928/4885

“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.

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