SCHEMBL6069724

SCHEMBL6069724

CN(C)CCn1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.70
MAPT P10636 5/20 0.50
RXFP1 Q9HBX9 2/20 0.50
HTT P42858 1/20 0.50
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 2/20 0.44
PABPC1 P11940 1/20 0.43
FTO Q9C0B1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 1/20 0.41
EGFR P00533 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMARCA2 P51531 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL29533974 1.00 GLS (0.70) GLSMAPTRXFP1HTTKCNH2
SCHEMBL30684934 0.90 GLS (0.55) GLSMAPTRXFP1HTTKCNH2
SCHEMBL6069704 0.90 GLS (0.55) GLSMAPTRXFP1HTTKCNH2
SCHEMBL14928249 0.82 GLS (0.75) GLSMAPTRXFP1HTTCYP19A1
SCHEMBL2933655 0.82 GLS (0.75) GLSMAPTCYP19A1CYP1A2PKM
SCHEMBL6069456 0.82 GLS (0.53) GLSMAPTRXFP1HTTKCNH2
SCHEMBL5347812 0.82 GLS (0.70) GLSMAPTCYP19A1CYP1A2ALDH1A1
SCHEMBL3808355 0.82 GLS (0.70) GLSMAPTCYP19A1CYP1A2
SCHEMBL8671555 0.81 GLS (0.68) GLSMAPTCYP19A1CYP1A2
SCHEMBL31304164 0.80 GLS (0.71) GLSMAPTCYP19A1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263940-A FGFR inhibitor, preparation method thereof, pharmaceutical composition and application 中国药科大学 2023-12-22 CN disclosed
WO-2023178928-A1 2-AMINO-4-INDOLYL PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF 中国药科大学 2023-09-28 WO disclosed
CN-114380806-B 2-amino-4-indolyl pyrimidine compound and preparation method and application thereof 中国药科大学 2022-06-10 CN disclosed
CN-114380806-A 2-amino-4-indolyl pyrimidine compound and preparation method and application thereof 中国药科大学 2022-04-22 CN disclosed
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 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 (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-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885MAPT 228/4885RXFP1 90/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885MAPT 228/4885RXFP1 90/4885

“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.