SCHEMBL14486385

SCHEMBL14486385

Fc1cc(Cl)ccc1CNc1ccnc(-c2cncc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.47
CLK4 Q9HAZ1 18/20 0.47
DYRK1A Q13627 10/20 0.47
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 6/20 0.41
ALOX15 P16050 5/20 0.41
HSD17B10 Q99714 4/20 0.41
USP2 O75604 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14554958 0.90 CLK4 (0.47) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14554917 0.90 CLK4 (0.44) VNN1CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL14486099 0.88 CLK4 (0.51) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14554930 0.87 CLK4 (0.50) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL15935057 0.85 CLK4 (0.45) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14554915 0.83 CLK4 (0.54) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14554837 0.82 HDAC3 (0.46) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL15918511 0.82 VNN1 (0.48) VNN1CLK4DYRK1ALMNAALDH1A1
SCHEMBL14554957 0.81 CLK4 (0.48) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14486039 0.81 CLK4 (0.50) CLK4DYRK1ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP claimed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US claimed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US claimed
EP-2729459-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2014-05-14 EP claimed
WO-2013004332-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2013-01-10 WO claimed
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
WO-2013004332-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2013-01-10 WO 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-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer CCNH, CCNA1, MYC VNN1 4438/4885CLK4 4593/4885DYRK1A 3537/4885

“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.