SCHEMBL4259386

SCHEMBL4259386

CS(=O)(=O)O.O=C(O)c1cn2c3c(c(N4C[C@H](CNC5CC5)[C@H](F)C4)c(F)cc3c1=O)OC[C@@H]2CF

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 1/20 0.48
TUBB known ✓ P07437 1/20 0.48
TUBA3C known ✓ P0DPH7 1/20 0.48
TUBA1B known ✓ P68363 1/20 0.48
TUBA4A known ✓ P68366 1/20 0.48
TUBB4B known ✓ P68371 1/20 0.48
TUBB3 known ✓ Q13509 1/20 0.48
TUBB2A known ✓ Q13885 1/20 0.48
TUBB8 known ✓ Q3ZCM7 1/20 0.48
TUBA3E known ✓ Q6PEY2 1/20 0.48
TUBA1A known ✓ Q71U36 1/20 0.48
TUBA1C known ✓ Q9BQE3 1/20 0.48
TUBB6 known ✓ Q9BUF5 1/20 0.48
TUBB2B known ✓ Q9BVA1 1/20 0.48
TUBB1 known ✓ Q9H4B7 1/20 0.48
CHRM1 known ✓ P11229 1/20 0.38
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL4259375 0.96 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4262320 0.96 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL4258508 0.96 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4255742 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4259379 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL6079420 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL6078155 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4254654 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4257316 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4258726 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486500-B1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIA KYORIN SEIYAKU KK (JP) 2009-09-16 EP disclosed
US-7153851-B2 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1486500-A1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIUM Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-15 EP 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-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium RRP15, RRP12, RRS1 TUBB4A 4540/4885TUBB 3865/4885TUBA3C 4197/4885

“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.