SCHEMBL2954643

SCHEMBL2954643

CN1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL2947965 0.85 HPGD (0.46) HRH4HTTKMT2ALMNAALDH1A1
SCHEMBL2946003 0.83 MAPK14 (0.49) HTTKMT2ALMNAALDH1A1POLB
SCHEMBL2954962 0.83 HTT (0.50) HRH4HTTKMT2ALMNA
SCHEMBL2945823 0.83 ABL1 (0.47) HRH4KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL31321993 0.77 HRH4 (0.50) HRH4KMT2ALMNAALDH1A1HTR3E
SCHEMBL2952058 0.76 LMNA (0.45) HRH4KMT2ALMNA
SCHEMBL2947900 0.76 TSHR (0.46) KMT2ALMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2953225 0.75 PRKCH (0.52) HTTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2945156 0.74 LMNA (0.43) HRH4KMT2ALMNAHRH3ALDH1A1
SCHEMBL599751 0.73 LMNA (0.42) HTTKMT2ALMNAALDH1A1SMN1; SMN2

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
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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 (1 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 HRH4 452/4885HTT 2879/4885KMT2A 260/4885

“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.