SCHEMBL1648134

SCHEMBL1648134

Clc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
S1PR1 P21453 9/20 0.40
AKT1 P31749 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.39
IDH1 O75874 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATR Q13535 1/20 0.37
HCRTR1 O43613 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1555546 0.88 S1PR1 (0.47) CYP4F2CYP4A11S1PR1SMN1; SMN2NPC1
SCHEMBL1645354 0.87 CYP4F2 (0.44) CYP4F2CYP4A11S1PR1KDRIDH1
SCHEMBL1646837 0.86 KIF11 (0.41) CYP4F2CYP4A11S1PR1NPC1RAB9A
SCHEMBL1646330 0.85 ATR (0.49) CYP4F2CYP4A11ATR
SCHEMBL2161461 0.84 CA2 (0.41) CYP4F2CYP4A11S1PR1ATR
SCHEMBL2162773 0.84 ATR (0.44) ATR
SCHEMBL1645147 0.84 CYP4F2 (0.47) CYP4F2CYP4A11S1PR1RXRARXRB
SCHEMBL1647451 0.84 DRD1 (0.40) CYP4F2CYP4A11S1PR1NPC1RAB9A
SCHEMBL15332967 0.84 CYP4F2 (0.42) CYP4F2CYP4A11S1PR1SMN1; SMN2NPC1
SCHEMBL1647633 0.83 GABBR2 (0.41) CYP4F2CYP4A11S1PR1

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
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 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 (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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CYP4F2 527/4885CYP4A11 388/4885S1PR1 4802/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CYP4F2 527/4885CYP4A11 388/4885S1PR1 4802/4885

“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.