SCHEMBL17863633

SCHEMBL17863633

O=CN1CCCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.53
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ PANK3 Q9H999 1/20 0.43
▸ CNR2 P34972 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ OGA O60502 1/20 0.40
▸ MMP7 P09237 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ UBE2T Q9NPD8 1/20 0.38

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
SCHEMBL941651 0.95 AKR1C3 (0.57) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5238015 0.87 AKR1C3 (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30020512 0.85 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL742515 0.85 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6997406 0.84 GRIN2D (0.54) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6808620 0.83 DRD4 (0.47) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2255519 0.82 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5236585 0.82 AKR1C3 (0.61) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3573336 0.80 GRIN2D (0.54) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31196073 0.80 GRIN2D (0.54) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 — — US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 — — US disclosed
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 — — US disclosed
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 — — US disclosed
US-9580437-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2017-02-28 — — US disclosed
US-9580437-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2017-02-28 — — US disclosed
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-23 — — US disclosed
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-06-23 — — 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-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED AKR1C3 2036/4885GRIN2D 844/4885GRIN3B 1394/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED AKR1C3 2036/4885GRIN2D 844/4885GRIN3B 1394/4885
US-20160176882-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED AKR1C3 2036/4885GRIN2D 844/4885GRIN3B 1394/4885

“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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