SCHEMBL5065295

SCHEMBL5065295

Nc1cc(-c2cc3cnccc3[nH]c2=O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
CYP1A1 P04798 1/20 0.42
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
CHEK1 O14757 1/20 0.38
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL22538190 0.77 SRC (0.41) CYP1A1CHEK1MAPTHSD17B10BRD4
SCHEMBL11034067 0.76 DAO (0.58) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL10837829 0.75 DAO (0.60) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL10379015 0.73 DAO (0.50) DAOPDE3BPDE3AMAPTLMNA
SCHEMBL5046548 0.70 DAO (0.50) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL5065304 0.70 SIK2 (0.36) CYP1A1PDE3BPDE3ACHEK1MAPT
SCHEMBL5062464 0.70 METAP2 (0.46) BRD4
SCHEMBL30500315 0.68 CLK2 (0.44) DAOCYP1A1CDK5CDK5R1MAPT
SCHEMBL21565917 0.68 CLK2 (0.44) DAOCYP1A1CDK5CDK5R1MAPT
SCHEMBL3342950 0.68 BRD4 (0.43) CYP1A1PDE3BPDE3AMAPTHSD17B10

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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 DAO 3252/4885CYP1A1 2766/4885PDE3B 1747/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 DAO 3252/4885CYP1A1 2766/4885PDE3B 1747/4885

“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.