SCHEMBL2184349

SCHEMBL2184349

CC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 9/20 0.49
TAB1 Q15750 9/20 0.49
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
MET P08581 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAP4K1 Q92918 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
SCHEMBL14763708 0.88 F2 (0.42) MAP3K7TAB1ALDH1A1HPGD
SCHEMBL22518574 0.86 TDP1 (0.46) MAP3K7TAB1ALDH1A1HPGD
SCHEMBL27059059 0.86 MAP3K7 (0.40) MAP3K7TAB1ALDH1A1HPGD
SCHEMBL27834489 0.86 EPHX2 (0.48) MAP3K7TAB1ALDH1A1MET
SCHEMBL27275110 0.85 MAP3K7 (0.39) MAP3K7TAB1ALDH1A1HPGDIRAK4
SCHEMBL9951768 0.83 ALDH1A1 (0.43) MAP3K7TAB1ALDH1A1
SCHEMBL22518576 0.83 ACHE (0.44) MAP3K7TAB1ALDH1A1
SCHEMBL1558099 0.83 SIRT6 (0.40) MAP3K7TAB1ALDH1A1HPGDBMPR1A
SCHEMBL1558660 0.83 DDB1 (0.52) ALDH1A1HPGDIRAK4JAK3
SCHEMBL19513971 0.83 F2 (0.40) MAP3K7TAB1ALDH1A1HPGD

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-118702683-A Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-09-27 CN disclosed
US-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-02 US disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 CN disclosed
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 US disclosed
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 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 (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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 MAP3K7 21/4885TAB1 986/4885ALDH1A1 1199/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP3K7 20/4885TAB1 991/4885ALDH1A1 1170/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP MAP3K7 45/4885TAB1 432/4885ALDH1A1 2505/4885

“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.