SCHEMBL18327552

SCHEMBL18327552

Cc1ccc(C(=O)N(C)N)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
CSNK2A1 P68400 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DGAT1 O75907 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
RAB9A P51151 1/20 0.38
CPS1 P31327 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL2735675 0.87 PDK2 (0.46) PDK2LOXL2CSNK2A1CES2CES1
SCHEMBL17993989 0.84 ESRRG (0.39) PDK2CES2CES1DGAT1SMN1; SMN2
SCHEMBL18149810 0.82 DGAT1 (0.61) CES2CES1DGAT1MAP2K2MAP2K1
SCHEMBL18149455 0.82 CYP11B2 (0.48) PDK2SMN1; SMN2
SCHEMBL29688875 0.81 PIK3CA (0.43) PDK2LOXL2CSNK2A1CPS1PIK3CA
SCHEMBL12121067 0.81 PIK3CA (0.43) PDK2LOXL2CSNK2A1CPS1PIK3CA
SCHEMBL20460552 0.80 PDK2 (0.41) PDK2LOXL2RAB9AHTTSMN1; SMN2
SCHEMBL1691191 0.80 CPS1 (0.55) RAB9ACPS1KMT2A
SCHEMBL471668 0.79 HPGD (0.51) PDK2LOXL2SMN1; SMN2KMT2A
SCHEMBL10655989 0.79 PDK2 (0.49) PDK2LOXL2CSNK2A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 US disclosed
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 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-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP PDK2 199/4885LOXL2 244/4885CSNK2A1 4219/4885
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES F13B, TFPI, TFPI2 PDK2 573/4885LOXL2 242/4885CSNK2A1 1494/4885

“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.